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chemical-structure

Dataset card Data Studio Files
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 Community
inchi
stringlengths
12
2.63k
inchi_key
stringlengths
27
27
isometric_smiles
stringlengths
2
3.5k
⌀
mol_formula
stringlengths
1
26
canonical_smiles
stringlengths
1
1.1k
⌀
iupac_name
stringlengths
5
1.3k
⌀
jchem_name
stringlengths
5
2.25k
⌀
classyfire_classification
stringlengths
185
2.81k
⌀
patent_count
stringlengths
8
804
⌀
compound_name
stringclasses
485 values
InChI=1S/C14H11ClFNO2/c15-10-6-7-11(17)13(16)12(10)14(18)19-8-9-4-2-1-3-5-9/h1-7H,8,17H2
BAMWVSNPLCIHRN-UHFFFAOYSA-N
NC1=CC=C(Cl)C(C(=O)OCC2=CC=CC=C2)=C1F
C14H11ClFNO2
C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2F)N)Cl
benzyl 3-amino-6-chloro-2-fluorobenzoate
benzyl 3-amino-6-chloro-2-fluorobenzoate
{"intermediateNodes":[],"alternativeParents":["CHEMONTID:0003098","CHEMONTID:0000281","CHEMONTID:0001097","CHEMONTID:0000284","CHEMONTID:0000321","CHEMONTID:0001099","CHEMONTID:0001100","CHEMONTID:0001030","CHEMONTID:0001031","CHEMONTID:0003888","CHEMONTID:0001238","CHEMONTID:0000347","CHEMONTID:0001516","CHEMONTID:000...
{"de":1,"no":3,"tw":7,"sg":6,"uy":1,"jp":9,"wo":20,"cn":7,"ep":11,"ca":11,"us":31,"cr":1}
null
InChI=1S/C22H19N3O/c1-14-12-20(18-10-5-11-19(22(23)26)21(18)25-14)24-13-16-8-4-7-15-6-2-3-9-17(15)16/h2-12H,13H2,1H3,(H2,23,26)(H,24,25)
BAMXQIAILMHJEY-UHFFFAOYSA-N
CC1=CC(=C2C=CC=C(C2=N1)C(=O)N)NCC3=CC=CC4=CC=CC=C43
C22H19N3O
CC1=CC(=C2C=CC=C(C2=N1)C(=O)N)NCC3=CC=CC4=CC=CC=C43
2-methyl-4-(naphthalen-1-ylmethylamino)quinoline-8-carboxamide
2-methyl-4-{[(naphthalen-1-yl)methyl]amino}quinoline-8-carboxamide
{"alternativeParents":["CHEMONTID:0004537","CHEMONTID:0000023","CHEMONTID:0002458","CHEMONTID:0004152","CHEMONTID:0003899","CHEMONTID:0000283","CHEMONTID:0004144","CHEMONTID:0001662","CHEMONTID:0000347","CHEMONTID:0004139","CHEMONTID:0004557","CHEMONTID:0000323","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"...
null
null
InChI=1S/C47H74N6O10/c1-7-10-13-16-19-24-29-60-38-28-23-22-27-35(38)43(56)50-48-41(54)34-42(55)49-51-44(57)36-32-37(45(58)52-53-46(59)63-47(4,5)6)40(62-31-26-21-18-15-12-9-3)33-39(36)61-30-25-20-17-14-11-8-2/h22-23,27-28,32-33H,7-21,24-26,29-31,34H2,1-6H3,(H,48,54)(H,49,55)(H,50,56)(H,51,57)(H,52,58)(H,53,59)
BANAIMSRDOEVPP-UHFFFAOYSA-N
CCCCCCCCOC1=CC(OCCCCCCCC)=C(C=C1C(=O)NNC(=O)OC(C)(C)C)C(=O)NNC(=O)CC(=O)NNC(=O)C1=C(OCCCCCCCC)C=CC=C1
C47H74N6O10
CCCCCCCCOC1=CC=CC=C1C(=O)NNC(=O)CC(=O)NNC(=O)C2=CC(=C(C=C2OCCCCCCCC)OCCCCCCCC)C(=O)NNC(=O)OC(C)(C)C
tert-butyl N-[[2,4-dioctoxy-5-[[[3-[2-(2-octoxybenzoyl)hydrazinyl]-3-oxopropanoyl]amino]carbamoyl]benzoyl]amino]carbamate
N'-[(tert-butoxy)carbonyl]-2,4-bis(octyloxy)-5-[(3-{[2-(octyloxy)phenyl]formohydrazido}-3-oxopropanehydrazido)carbonyl]benzohydrazide
null
null
null
InChI=1S/C24H26N2O2/c27-23(28)15-16-4-6-20-19(16)7-9-22(26-12-2-1-3-13-26)24(20)18-5-8-21-17(14-18)10-11-25-21/h5,7-11,14,16,25H,1-4,6,12-13,15H2,(H,27,28)
BANCOQNJMVAIMK-UHFFFAOYSA-N
OC(=O)CC1CCC2=C(C3=CC=C4NC=CC4=C3)C(=CC=C12)N1CCCCC1
C24H26N2O2
null
null
2-[4-(1H-indol-5-yl)-5-(piperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]acetic acid
null
null
null
InChI=1S/C16H17N3O2/c17-10-12(16(21)19-8-4-1-5-9-19)14-11-6-2-3-7-13(11)18-15(14)20/h2-3,6-7,12,14H,1,4-5,8-9H2,(H,18,20)
BANDQIKHKLIHHD-UHFFFAOYSA-N
O=C(C(C#N)C1C(=O)NC2=CC=CC=C12)N1CCCCC1
C16H17N3O2
C1CCN(CC1)C(=O)C(C#N)C2C3=CC=CC=C3NC2=O
3-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)-3-piperidin-1-ylpropanenitrile
3-oxo-2-(2-oxo-2,3-dihydro-1H-indol-3-yl)-3-(piperidin-1-yl)propanenitrile
null
null
null
InChI=1S/C29H34ClF4N5O/c1-19(36-21-12-14-38(15-13-21)27-24(30)9-6-10-25(27)31)22-18-39(26-11-4-5-16-40-26)37-28(22)35-17-20-7-2-3-8-23(20)29(32,33)34/h2-3,6-10,18-19,21,26,36H,4-5,11-17H2,1H3,(H,35,37)
BANFLNIIYKMLOG-UHFFFAOYSA-N
CC(C1=CN(N=C1NCC2=CC=CC=C2C(F)(F)F)C3CCCCO3)NC4CCN(CC4)C5=C(C=CC=C5Cl)F
C29H34ClF4N5O
CC(C1=CN(N=C1NCC2=CC=CC=C2C(F)(F)F)C3CCCCO3)NC4CCN(CC4)C5=C(C=CC=C5Cl)F
1-(2-chloro-6-fluorophenyl)-N-[1-[1-(oxan-2-yl)-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazol-4-yl]ethyl]piperidin-4-amine
1-(2-chloro-6-fluorophenyl)-N-{1-[1-(oxan-2-yl)-3-({[2-(trifluoromethyl)phenyl]methyl}amino)-1H-pyrazol-4-yl]ethyl}piperidin-4-amine
null
null
null
InChI=1S/C21H18ClF4N3O2/c1-27-19(30)9-12-4-3-5-15(21(24,25)26)14(12)11-31-18-7-6-13(8-16(18)22)20-17(23)10-29(2)28-20/h3-8,10H,9,11H2,1-2H3,(H,27,30)
BANJWHHOMCZRDF-UHFFFAOYSA-N
CNC(=O)CC1=C(COC2=C(Cl)C=C(C=C2)C2=NN(C)C=C2F)C(=CC=C1)C(F)(F)F
C21H18ClF4N3O2
null
null
2-(2-{[2-chloro-4-(4-fluoro-1-methyl-1H-pyrazol-3-yl)phenoxy]methyl}-3-(trifluoromethyl)phenyl)-N-methylacetamide
null
null
null
InChI=1S/C28H21F2N3O4S/c1-2-37-28(34)24(17-32)26(38-20-10-4-3-5-11-20)15-22(21-12-7-13-25(29)27(21)30)23(16-31)18-8-6-9-19(14-18)33(35)36/h3-14,22-23H,2,15H2,1H3/b26-24-/t22-,23+/m1/s1
BANOBICBCDZSSO-LQLOLFGWSA-N
CCOC(=O)C(\C#N)=C(\C[C@@H]([C@@H](C#N)C1=CC(=CC=C1)[N](=O)=O)C1=C(F)C(F)=CC=C1)SC1=CC=CC=C1
C28H21F2N3O4S
null
null
ethyl (2Z,5S,6R)-2,6-dicyano-5-(2,3-difluorophenyl)-6-(3-nitrophenyl)-3-(phenylsulfanyl)hex-2-enoate
null
null
null
InChI=1S/C19H17N3O2/c1-13-7-6-10-16(11-13)18(23)21-22-14(2)20-17(19(22)24)12-15-8-4-3-5-9-15/h3-12H,1-2H3,(H,21,23)
BANPNHJICGFHTH-UHFFFAOYSA-N
CC1=NC(=CC2=CC=CC=C2)C(=O)N1NC(=O)C1=CC(C)=CC=C1
C19H17N3O2
CC1=NC(=CC2=CC=CC=C2)C(=O)N1NC(=O)C1=CC(C)=CC=C1
null
3-methyl-N-[2-methyl-5-oxo-4-(phenylmethylidene)-4,5-dihydro-1H-imidazol-1-yl]benzamide
null
null
null
InChI=1S/C24H26FN5O/c1-15-14-30(16(2)13-29(15)17(3)18-5-7-19(25)8-6-18)22-11-23(31)28(4)21-10-9-20(12-26)27-24(21)22/h5-11,15-17H,13-14H2,1-4H3/t15-,16+,17+/m1/s1/i17D
BANPUOKUCXLLSF-NKPFPDKJSA-N
[2H][C@](C)(N1C[C@H](C)N(C[C@H]1C)C1=CC(=O)N(C)C2=CC=C(N=C12)C#N)C1=CC=C(F)C=C1
C24H26FN5O
null
null
8-[(2S,5R)-4-[(1R)-1-(4-fluorophenyl)(1-²H)ethyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-5,6-dihydro-1,5-naphthyridine-2-carbonitrile
null
null
null
InChI=1S/C22H26O3/c1-3-24-21(23)12-13-22(2)15-18(16-22)17-8-7-11-20(14-17)25-19-9-5-4-6-10-19/h4-11,14,18H,3,12-13,15-16H2,1-2H3/t18-,22+
ARTBZZNMOUHSPZ-CXGRPWHSSA-N
CCOC(=O)CC[C@]1(C)C[C@@H](C1)C1=CC(OC2=CC=CC=C2)=CC=C1
C22H26O3
null
null
ethyl 3-[(1s,3s)-1-methyl-3-(3-phenoxyphenyl)cyclobutyl]propanoate
null
{"wo":1}
null
InChI=1S/C39H36ClN9O8S3/c1-48-38(45-46-47-48)60-20-25-19-58-35-30(34(52)49(35)31(25)36(53)57-32(23-9-5-3-6-10-23)24-11-7-4-8-12-24)43-33(51)29(27-21-59-37(41-27)42-28(50)17-40)44-39(54)56-18-22-13-15-26(55-2)16-14-22/h3-16,21,29-30,32,35H,17-20H2,1-2H3,(H,43,51)(H,44,54)(H,41,42,50)/t29?,30-,35-/m1/s1
ARTCSDXBQFQVAY-XWVWHTGZSA-N
[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(NC(=O)OCC1=CC=C(OC)C=C1)C1=CSC(NC(=O)CCl)=N1)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1
C39H36ClN9O8S3
[H]C12SCC(CSC3=NN=NN3C)=C(N1C(=O)C2NC(=O)C(NC(=O)OCC1=CC=C(OC)C=C1)C1=CSC(NC(=O)CCl)=N1)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1
null
diphenylmethyl (6R,7R)-7-{2-[2-(2-chloroacetamido)-1,3-thiazol-4-yl]-2-({[(4-methoxyphenyl)methoxy]carbonyl}amino)acetamido}-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
null
null
null
InChI=1S/C61H97N15O23/c1-28(2)23-40(73-51(88)31(6)66-50(87)30(5)67-55(92)39(18-21-47(83)84)72-58(95)41(75-60(97)49(64)33(8)77)25-34-12-14-35(78)15-13-34)57(94)70-36(11-9-10-22-62)56(93)71-37(16-19-44(63)79)53(90)65-27-45(80)69-38(17-20-46(81)82)54(91)68-32(7)52(89)74-42(26-48(85)86)59(96)76-43(61(98)99)24-29(3)4/h12-15...
ARTDJPAITUFXSO-KBTQTCNESA-N
CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)[C@@H](C)O)C(O)=O
C61H97N15O23
null
null
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]propanamido]propanamido]-4-methylpentanamido]hexanamido]-4-carbamoylbutanamido]acetamido}-4-carboxybutanamido]propanamido]-3-carboxy...
null
null
null
InChI=1S/C16H17FN2O2/c17-14-8-6-13(7-9-14)12-21-16(20)19-11-10-18-15-4-2-1-3-5-15/h1-9,18H,10-12H2,(H,19,20)
ARTFUARRAFOWRJ-UHFFFAOYSA-N
C1=CC=C(C=C1)NCCNC(=O)OCC2=CC=C(C=C2)F
C16H17FN2O2
C1=CC=C(C=C1)NCCNC(=O)OCC2=CC=C(C=C2)F
(4-fluorophenyl)methyl N-(2-anilinoethyl)carbamate
(4-fluorophenyl)methyl N-[2-(phenylamino)ethyl]carbamate
{"alternativeParents":["CHEMONTID:0003924","CHEMONTID:0000284","CHEMONTID:0002458","CHEMONTID:0001100","CHEMONTID:0001031","CHEMONTID:0001162","CHEMONTID:0004557","CHEMONTID:0001517","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"CHEMONTID:0001097","intermediateNodes":[],"kingdom":"CHEMONT...
{"ep":1}
null
InChI=1S/C34H30N2O2S/c1-23-19-27(9-15-31(23)35-21-25-5-11-29(37-3)12-6-25)33-17-18-34(39-33)28-10-16-32(24(2)20-28)36-22-26-7-13-30(38-4)14-8-26/h5-22H,1-4H3
ARTHPEYFBREFSZ-UHFFFAOYSA-N
COC1=CC=C(C=NC2=C(C)C=C(C=C2)C2=CC=C(S2)C2=CC(C)=C(C=C2)N=CC2=CC=C(OC)C=C2)C=C1
C34H30N2O2S
COC1=CC=C(C=NC2=C(C)C=C(C=C2)C2=CC=C(S2)C2=CC(C)=C(C=C2)N=CC2=CC=C(OC)C=C2)C=C1
null
1-(4-methoxyphenyl)-N-{4-[5-(4-{[(4-methoxyphenyl)methylidene]amino}-3-methylphenyl)thiophen-2-yl]-2-methylphenyl}methanimine
null
null
null
InChI=1S/C20H32NO3.HI/c1-13(2)8-15-12-21(3)7-6-14-9-19(23-4)20(24-5)10-16(14)17(21)11-18(15)22;/h9-10,13,15,17-18,22H,6-8,11-12H2,1-5H3;1H/q+1;/p-1
ARTKVROYDHQRAO-UHFFFAOYSA-M
[I-].COC1=C(OC)C=C2C3CC(O)C(CC(C)C)C[N+]3(C)CCC2=C1
C20H32INO3
null
null
2-hydroxy-9,10-dimethoxy-5-methyl-3-(2-methylpropyl)-1H,2H,3H,4H,5H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-5-ium iodide
null
null
null
InChI=1S/C20H22N6OS/c1-13-7-8-22-18(10-13)25-17-6-2-5-15(24-17)16-11-23-20(28-16)26-9-3-4-14(12-26)19(21)27/h2,5-8,10-11,14H,3-4,9,12H2,1H3,(H2,21,27)(H,22,24,25)
ARTOMDYGPHWCSD-UHFFFAOYSA-N
CC1=CC=NC(NC2=NC(=CC=C2)C2=CN=C(S2)N2CCCC(C2)C(N)=O)=C1
C20H22N6OS
CC1=CC=NC(NC2=NC(=CC=C2)C2=CN=C(S2)N2CCCC(C2)C(N)=O)=C1
1-[5-[6-[(4-methylpyridin-2-yl)amino]pyridin-2-yl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
1-(5-{6-[(4-methylpyridin-2-yl)amino]pyridin-2-yl}-1,3-thiazol-2-yl)piperidine-3-carboxamide
null
{"in":1,"jp":1,"ep":1,"ca":1,"us":2}
null
InChI=1S/C60H38N4/c1-2-16-40(17-3-1)51-37-44(36-43-19-5-6-21-45(43)51)59-49-24-8-11-27-53(49)61-60(62-59)63-38-52(48-23-9-12-28-54(48)63)42-34-32-41(33-35-42)47-26-15-31-57-58(47)50-25-10-13-29-56(50)64(57)55-30-14-20-39-18-4-7-22-46(39)55/h1-38H
ARTXJPICLJSDTD-UHFFFAOYSA-N
C1=C(C2=CC=CC=C2N1C1=NC2=C(C=CC=C2)C(=N1)C1=CC2=C(C=CC=C2)C(=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=C2C(=CC=C1)N(C1=CC=CC=C21)C1=CC=CC2=C1C=CC=C2
C60H38N4
null
null
9-(naphthalen-1-yl)-4-(4-{1-[4-(4-phenylnaphthalen-2-yl)quinazolin-2-yl]-1H-indol-3-yl}phenyl)-9H-carbazole
null
null
null
InChI=1S/C67H114N22O24/c1-11-33(6)55(58(71)104)88-65(111)43(31-90)86-67(113)57(35(8)13-3)87-53(101)30-79-66(112)56(34(7)12-2)89-64(110)40(20-32(4)5)83-63(109)41(21-45(70)93)84-61(107)39(17-18-44(69)92)82-59(105)36(9)80-62(108)42(22-54(102)103)85-60(106)38(16-14-15-19-68)81-52(100)29-78-51(99)28-77-50(98)27-76-49(97)26-...
ARTYWOKUKSIFGI-FVVLCMAQSA-N
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(C)=O)[C@@H](C)CC)[C@@H](C)CC)C(N)=O
C67H114N22O24
null
null
(3S)-3-[(2S)-6-amino-2-(2-{2-[2-(2-{2-[2-(2-acetamidoacetamido)acetamido]acetamido}acetamido)acetamido]acetamido}acetamido)hexanamido]-3-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S,2S)-1-[({[(1S,2S)-1-{[(1S)-1-{[(1S,2S)-1-carbamoyl-2-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-methylbutyl]c...
null
null
null
InChI=1S/C22H25N3O4.ClH/c1-4-24(2)11-12-8-9-13-16(10-12)25(3)15-7-5-6-14-19(17(13)15)23-21(27)18(20(14)26)22(28)29;/h8-10H,4-7,11H2,1-3H3,(H,28,29)(H2,23,26,27);1H
ARUALCYFQYJFOG-UHFFFAOYSA-N
CCN(C)CC1=CC2=C(C=C1)C3=C(N2C)CCCC4=C3NC(=O)C(=C4O)C(=O)O.Cl
C22H26ClN3O4
CCN(C)CC1=CC2=C(C=C1)C3=C(N2C)CCCC4=C3NC(=O)C(=C4O)C(=O)O.Cl
15-[[ethyl(methyl)amino]methyl]-6-hydroxy-12-methyl-4-oxo-3,12-diazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),5,13(18),14,16-hexaene-5-carboxylic acid;hydrochloride
15-{[ethyl(methyl)amino]methyl}-6-hydroxy-12-methyl-4-oxo-3,12-diazatetracyclo[9.7.0.0²,⁷.0¹³,¹⁸]octadeca-1(11),2(7),5,13,15,17-hexaene-5-carboxylic acid hydrochloride
null
{"wo":1}
null
InChI=1S/C9H13N4O5P/c14-9-7-8(10-5-11-9)13(6-12-7)1-2-18-3-4-19(15,16)17/h5-6H,1-4H2,(H,10,11,14)(H2,15,16,17)
ARUATFPHVPUVFJ-UHFFFAOYSA-N
C1=NC2=C(C(=O)N1)N=CN2CCOCCP(=O)(O)O
C9H13N4O5P
O=c1[nH]cnc2c1ncn2CCOCCP(=O)(O)O
2-[2-(6-oxo-1H-purin-9-yl)ethoxy]ethylphosphonic acid
{2-[2-(6-oxo-6,9-dihydro-3H-purin-9-yl)ethoxy]ethyl}phosphonic acid
{"alternativeParents":["CHEMONTID:0001505","CHEMONTID:0000291","CHEMONTID:0002311","CHEMONTID:0003890","CHEMONTID:0001302","CHEMONTID:0004144","CHEMONTID:0001167","CHEMONTID:0004139","CHEMONTID:0004557","CHEMONTID:0000400","CHEMONTID:0000278","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000246","...
{"us":2,"wo":2}
null
InChI=1S/C36H57N11O18/c1-15(2)28(46-29(57)16(37)5-7-23(38)50)34(62)43-18(10-26(53)54)30(58)40-12-25(52)41-20(13-48)31(59)45-21(14-49)32(60)42-17(6-8-24(39)51)35(63)47-9-3-4-22(47)33(61)44-19(36(64)65)11-27(55)56/h15-22,28,48-49H,3-14,37H2,1-2H3,(H2,38,50)(H2,39,51)(H,40,58)(H,41,52)(H,42,60)(H,43,62)(H,44,61)(H,45,59)(...
ARUBVGJPKPHMCX-RWMQVFGDSA-N
CC(C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(O)=O
C36H57N11O18
null
null
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-methylbutanamido]-3-carboxypropanamido]acetamido}-3-hydroxypropanamido]-3-hydroxypropanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}butanedioic acid
null
null
null
InChI=1S/C19H17F6NO3/c1-2-27-8-9-28-17-12-26-7-6-14(17)11-16(20)13-4-3-5-15(10-13)29-19(24,25)18(21,22)23/h3-7,10-12H,2,8-9H2,1H3
ARUCCNYBGRFLHM-UHFFFAOYSA-N
CCOCCOC1=CN=CC=C1C=C(F)C1=CC(OC(F)(F)C(F)(F)F)=CC=C1
C19H17F6NO3
null
null
3-(2-ethoxyethoxy)-4-{2-fluoro-2-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethenyl}pyridine
null
null
null
InChI=1S/C54H44N2Si/c1-57(2,53-20-10-5-11-21-53)54-38-36-51(37-39-54)55(47-16-6-3-7-17-47)49-31-26-44(27-32-49)42-22-24-43(25-23-42)45-28-33-50(34-29-45)56(48-18-8-4-9-19-48)52-35-30-41-14-12-13-15-46(41)40-52/h3-40H,1-2H3
ARUKIDPDLMKEJF-UHFFFAOYSA-N
C[Si](C)(C1=CC=CC=C1)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC9=CC=CC=C9C=C8
C54H44N2Si
C[Si](C)(C1=CC=CC=C1)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC9=CC=CC=C9C=C8
N-[4-[4-[4-(N-[4-[dimethyl(phenyl)silyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
4'-[4-({4-[dimethyl(phenyl)silyl]phenyl}(phenyl)amino)phenyl]-N-(naphthalen-2-yl)-N-phenyl-[1,1'-biphenyl]-4-amine
null
null
null
InChI=1S/C18H26N2O6/c1-12(2)9-14(16(22)19-15(10-21)17(23)25-3)20-18(24)26-11-13-7-5-4-6-8-13/h4-8,12,14-15,21H,9-11H2,1-3H3,(H,19,22)(H,20,24)/t14-,15-/m0/s1
ARUNVSBGKCAFKZ-GJZGRUSLSA-N
CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)OC)NC(=O)OCC1=CC=CC=C1
C18H26N2O6
CC(C)CC(C(=O)NC(CO)C(=O)OC)NC(=O)OCC1=CC=CC=C1
methyl (2S)-3-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
methyl (2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido]-3-hydroxypropanoate
{"alternativeParents":["CHEMONTID:0004329","CHEMONTID:0000394","CHEMONTID:0001189","CHEMONTID:0004316","CHEMONTID:0002309","CHEMONTID:0001097","CHEMONTID:0001713","CHEMONTID:0001096","CHEMONTID:0001162","CHEMONTID:0003416","CHEMONTID:0001663","CHEMONTID:0001137","CHEMONTID:0004150","CHEMONTID:0001831","CHEMONTID:000394...
null
null
InChI=1S/C20H19ClF2N2O2/c1-12-7-15(10-25-13(12)2)18(9-24)17(8-20(26)27-11-19(22)23)14-3-5-16(21)6-4-14/h3-7,10,17-19H,8,11H2,1-2H3/t17-,18-/m0/s1
ARUQOTBZYWVNMN-ROUUACIJSA-N
CC1=CC(=CN=C1C)[C@H](C#N)[C@@H](CC(=O)OCC(F)F)C1=CC=C(Cl)C=C1
C20H19ClF2N2O2
null
null
2,2-difluoroethyl (3R,4R)-3-(4-chlorophenyl)-4-cyano-4-(5,6-dimethylpyridin-3-yl)butanoate
null
null
null
InChI=1S/C33H31Cl2F3N8O11S/c1-17(54-20-11-13-21(14-12-20)55-25-23(35)15-19(16-39-25)33(36,37)38)27(48)56-28(26(47)45(5)44(3)4)57-32(50)46(58(51,52)24-10-8-7-9-22(24)34)31(49)43-29-40-18(2)41-30(42-29)53-6/h7-17,28H,1-6H3,(H,40,41,42,43,49)
ARUSSKWOIMWHLQ-UHFFFAOYSA-N
COC1=NC(NC(=O)N(C(=O)OC(OC(=O)C(C)OC2=CC=C(OC3=C(Cl)C=C(C=N3)C(F)(F)F)C=C2)C(=O)N(C)N(C)C)[S](=O)(=O)C2=C(Cl)C=CC=C2)=NC(C)=N1
C33H31Cl2F3N8O11S
null
null
[({N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]2-chlorobenzenesulfonamido}carbonyl)oxy](N,N',N'-trimethylhydrazinecarbonyl)methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate
null
null
null
InChI=1S/C27H33BrClN5O4S/c1-17-18(2)39-27-24(17)25(20-4-6-21(29)7-5-20)31-22(26-33-32-19(3)34(26)27)16-23(35)30-9-11-37-13-15-38-14-12-36-10-8-28/h4-7,22H,8-16H2,1-3H3,(H,30,35)/t22-/m0/s1
ARUVSAZCFSOFGD-QFIPXVFZSA-N
CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCCBr)N=C2C1=CC=C(Cl)C=C1
C27H33BrClN5O4S
CC1=C(C)C2=C(S1)N1C(C)=NN=C1C(CC(=O)NCCOCCOCCOCCBr)N=C2C1=CC=C(Cl)C=C1
null
N-(2-{2-[2-(2-bromoethoxy)ethoxy]ethoxy}ethyl)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0²,⁶]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide
null
null
null
InChI=1S/C19H20N2O5/c1-3-5-8-21-17(23)14(11-20-19(21)25-4-2)18(24)26-16-10-15(22)12-6-7-13(16)9-12/h1,10-13H,4-9H2,2H3
ARUYCOVSLDSCFG-UHFFFAOYSA-N
CCOC1=NC=C(C(=O)OC2=CC(=O)C3CCC2C3)C(=O)N1CCC#C
C19H20N2O5
null
null
4-oxobicyclo[3.2.1]oct-2-en-2-yl 1-(but-3-yn-1-yl)-2-ethoxy-6-oxo-1,6-dihydropyrimidine-5-carboxylate
null
null
null
InChI=1S/C23H23FN2O2/c1-2-3-10-23(27)28-12-11-21(18-7-4-6-17(13-18)15-25)22(16-26)19-8-5-9-20(24)14-19/h4-9,13-14,21-22H,2-3,10-12H2,1H3/t21-,22-/m0/s1
ARVBUQSVRKAAQW-XHEJRLEYSA-N
CCCCC(=O)OCC[C@H]([C@@H](C#N)C1=CC(F)=CC=C1)C1=CC(=CC=C1)C#N
C23H23FN2O2
null
null
(3R,4R)-4-cyano-3-(3-cyanophenyl)-4-(3-fluorophenyl)butyl pentanoate
null
null
null
InChI=1S/C18H17NO2/c1-14(20)21-19-17-12-18(13-17,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
ARVBVFVYYRRMAQ-UHFFFAOYSA-N
CC(=O)ON=C1CC(C1)(C1=CC=CC=C1)C1=CC=CC=C1
C18H17NO2
null
null
(3,3-diphenylcyclobutylidene)amino acetate
null
null
null
InChI=1S/C61H80O12.Ag/c1-11-66-52(62)36-70-56-42-24-40-22-20-18-16-15-17-19-21-23-41-26-44(30-48-34-50(60(5,6)7)32-46(28-42)58(48)72-38-54(64)68-13-3)57(71-37-53(63)67-12-2)45(27-41)31-49-35-51(61(8,9)10)33-47(29-43(56)25-40)59(49)73-39-55(65)69-14-4;/h24-27,32-35H,11-23,28-31,36-39H2,1-10H3;/q;+1
ARVDGHHCTWBUBO-UHFFFAOYSA-N
[Ag+]1234567[O]=C(OCC)C[O]1C1=C8C=C9CCCCCCCCCC%10=CC(=C(C(CC%11=CC(=CC(CC1=C9)=C%11[O]2CC(=[O]3)OCC)C(C)(C)C)=C%10)[O]4CC(OCC)=[O]5)CC1=CC(C(C)(C)C)=CC(=C1[O]6CC(=[O]7)OCC)C8
C61H80AgO12
null
null
9,35-di-tert-butyl-3,41,44,53-tetraethoxy-2λ³,5λ³,39λ³,42λ³,43λ³,46λ³,51λ³,54λ³-octaoxa-1-argentatridecacyclo[28.12.4.4¹,¹⁴.1⁷,²⁹.1¹³,¹⁷.1¹⁵,³⁷.1²⁷,³¹.0¹,⁵.0¹,³⁹.0¹,⁴⁶.0⁶,¹¹.0³³,³⁸.0¹,⁵¹]tetrapentaconta-2,6,8,10,13,15,17(50),27,29,31(48),33(38),34,36,41,43,53-hexadecaen-1-ylium
null
null
null
InChI=1S/C19H18F3N7O2S/c1-4-8-31-17(24-13-9-16(19(20,21)22)25-23-10-13)32-11-14-12(2)6-5-7-15(14)29-18(30)28(3)26-27-29/h4-7,9-10H,1,8,11H2,2-3H3
ARVGMCODABEARW-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(CSC(OCC=C)=NC2=CN=NC(=C2)C(F)(F)F)C(C)=CC=C1
C19H18F3N7O2S
null
null
1-methyl-4-[3-methyl-2-({[(prop-2-en-1-yloxy)({[6-(trifluoromethyl)pyridazin-4-yl]imino})methyl]sulfanyl}methyl)phenyl]-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C30H23BN2O2/c34-31(35)30-20-19-29(28-18-9-21-32(28)30)33(23-12-5-2-6-13-23)27-17-8-15-25-24(14-7-16-26(25)27)22-10-3-1-4-11-22/h1-21,34-35H
ARVIVQNTARRJKG-UHFFFAOYSA-N
OB(O)C1=CC=C(N(C2=CC=CC=C2)C2=CC=CC3=C2C=CC=C3C2=CC=CC=C2)C2=CC=CN12
C30H23BN2O2
null
null
{8-[phenyl(5-phenylnaphthalen-1-yl)amino]indolizin-5-yl}boronic acid
null
null
null
InChI=1S/C24H28F3N7O/c1-5-17(23-33-29-12-34(23)4)15-7-6-8-16(9-15)21-18-10-19(24(25,26)27)30-20(22(18)32-31-21)14(3)28-11-13(2)35/h6-10,12-14,17,28,35H,5,11H2,1-4H3,(H,31,32)/t13-,14-,17+/m0/s1
ARVIWZGZWQMXQK-GRDNDAEWSA-N
CC[C@H](C1=CC=CC(=C1)C2=NNC3=C(N=C(C=C32)C(F)(F)F)[C@H](C)NC[C@H](C)O)C4=NN=CN4C
C24H28F3N7O
CCC(C1=CC=CC(=C1)C2=NNC3=C(N=C(C=C32)C(F)(F)F)C(C)NCC(C)O)C4=NN=CN4C
(2S)-1-[[(1S)-1-[3-[3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)propyl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethyl]amino]propan-2-ol
(2S)-1-{[(1S)-1-(3-{3-[(1R)-1-(4-methyl-4H-1,2,4-triazol-3-yl)propyl]phenyl}-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl)ethyl]amino}propan-2-ol
null
null
null
InChI=1S/C32H17FN4/c33-22-10-12-23(13-11-22)36-29-8-4-2-6-26(29)31-30(36)16-14-25-24-5-1-3-7-28(24)37(32(25)31)27-15-9-20(18-34)17-21(27)19-35/h1-17H
ARVNKHSBFZFUAF-UHFFFAOYSA-N
C1=CC=C2C(=C1)C3=C(N2C4=C(C=C(C=C4)C#N)C#N)C5=C(C=C3)N(C6=CC=CC=C65)C7=CC=C(C=C7)F
C32H17FN4
C1=CC=C2C(=C1)C3=C(N2C4=C(C=C(C=C4)C#N)C#N)C5=C(C=C3)N(C6=CC=CC=C65)C7=CC=C(C=C7)F
4-[5-(4-fluorophenyl)indolo[3,2-c]carbazol-12-yl]benzene-1,3-dicarbonitrile
4-[5-(4-fluorophenyl)-5H,12H-indolo[3,2-c]carbazol-12-yl]benzene-1,3-dicarbonitrile
null
null
null
InChI=1S/C31H27ClN6O5S/c1-3-42-30-35-29(36-31(37-30)43-4-2)38-23(20-12-8-9-15-33-20)27(32)34-22(28(38)41)25(40)21-24(39)17-13-14-18(16-17)26(21)44-19-10-6-5-7-11-19/h5-12,15,17-18H,3-4,13-14,16H2,1-2H3
ARVOHQAKEJYEHT-UHFFFAOYSA-N
CCOC1=NC(=NC(OCC)=N1)N1C(=O)C(=NC(Cl)=C1C1=CC=CC=N1)C(=O)C1=C(SC2=CC=CC=C2)C2CCC(C2)C1=O
C31H27ClN6O5S
CCOC1=NC(=NC(OCC)=N1)N1C(=O)C(=NC(Cl)=C1C1=CC=CC=N1)C(=O)C1=C(SC2=CC=CC=C2)C2CCC(C2)C1=O
null
5-chloro-1-(4,6-diethoxy-1,3,5-triazin-2-yl)-3-[4-oxo-2-(phenylsulfanyl)bicyclo[3.2.1]oct-2-ene-3-carbonyl]-6-(pyridin-2-yl)-1,2-dihydropyrazin-2-one
null
null
null
InChI=1S/C18H16F6N4S/c1-7-4-8(2)12-10(6-29-13(12)9(7)3)14(18(22,23)24)27-16-26-5-11(15(25)28-16)17(19,20)21/h4-6,14H,1-3H3,(H3,25,26,27,28)
ARVSCRFIIYOWAR-UHFFFAOYSA-N
CC1=C2C(=CSC2=C(C)C(C)=C1)C(NC1=NC=C(C(N)=N1)C(F)(F)F)C(F)(F)F
C18H16F6N4S
null
null
N2-[2,2,2-trifluoro-1-(4,6,7-trimethyl-1-benzothiophen-3-yl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
null
null
null
InChI=1S/C19H21N3O4/c1-3-19(12-15(22-26-19)13-8-6-5-7-9-13)18(24)21-17-14(10-11-25-17)16(23)20-4-2/h3,5-9H,1,4,10-12H2,2H3,(H,20,23)(H,21,24)
ARVWTQVOWXIZMG-UHFFFAOYSA-N
CCNC(=O)C1=C(NC(=O)C2(CC(=NO2)C2=CC=CC=C2)C=C)OCC1
C19H21N3O4
null
null
5-ethenyl-N-[3-(ethylcarbamoyl)-4,5-dihydrofuran-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
null
null
null
InChI=1S/C36H47N3O11/c1-9-36(10-2)48-26-23(19-37-33(42)50-34(4,5)6)44-31(29(26)49-36)43-22(15-14-21-13-11-12-20(3)18-21)25-27-28(47-35(7,8)46-27)30(45-25)39-17-16-24(40)38-32(39)41/h11-13,16-18,22-23,25-31H,9-10,19H2,1-8H3,(H,37,42)(H,38,40,41)/t22-,23+,25+,26+,27+,28+,29+,30+,31+/m0/s1
ARWCTUJHWXPQDX-QABHLPKLSA-N
[H][C@@]1(O[C@@H](N2C=CC(=O)NC2=O)[C@]2([H])OC(C)(C)O[C@]12[H])[C@@H](O[C@@H]1O[C@H](CNC(=O)OC(C)(C)C)[C@@]2([H])OC(CC)(CC)O[C@@]12[H])C#CC1=CC(C)=CC=C1
C36H47N3O11
null
null
tert-butyl N-{[(3aR,4R,6R,6aR)-6-{[(1S)-1-[(3aR,4R,6R,6aR)-6-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-3-(3-methylphenyl)prop-2-yn-1-yl]oxy}-2,2-diethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl}carbamate
null
null
null
InChI=1S/C44H67N11O17/c1-21(2)17-29(41(68)50-23(4)44(71)72)54-43(70)36(24(5)56)55-42(69)30(18-25-9-7-6-8-10-25)53-40(67)27(13-16-35(62)63)51-33(59)20-47-32(58)19-48-37(64)22(3)49-39(66)28(12-14-31(46)57)52-38(65)26(45)11-15-34(60)61/h6-10,21-24,26-30,36,56H,11-20,45H2,1-5H3,(H2,46,57)(H,47,58)(H,48,64)(H,49,66)(H,50,68...
ARWCUTIJNGVLTA-NRJCDTSSSA-N
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
C44H67N11O17
null
null
(4S)-4-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanamido]propanamido]acetamido}acetamido)-4-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid
null
null
null
InChI=1S/C22H22ClN3O5/c1-6-26-21(27)19(20(12(3)25-26)31-22(28)30-5)18-13(10-24)7-11(2)17-15(18)8-14(29-4)9-16(17)23/h8-9,11H,6-7H2,1-5H3
ARWDUEJYYONMJX-UHFFFAOYSA-N
CCN1N=C(C)C(OC(=O)OC)=C(C1=O)C1=C(CC(C)C2=C(Cl)C=C(OC)C=C12)C#N
C22H22ClN3O5
null
null
5-(5-chloro-2-cyano-7-methoxy-4-methyl-3,4-dihydronaphthalen-1-yl)-1-ethyl-3-methyl-6-oxo-1,6-dihydropyridazin-4-yl methyl carbonate
null
null
null
InChI=1S/C28H24F6N6O4S/c1-3-45(43,44)26-22(36-21-11-19(12-35-40(21)26)38(2)25(42)14-4-5-14)20-13-39(18-6-7-18)23(37-24(20)41)15-8-16(27(29,30)31)10-17(9-15)28(32,33)34/h8-14,18H,3-7H2,1-2H3
ARWIWYKOXOPFPG-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=C2C=C(C=NN12)N(C)C(=O)C1CC1)C1=CN(C2CC2)C(=NC1=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
C28H24F6N6O4S
null
null
N-(2-{2-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-4-oxo-1,4-dihydropyrimidin-5-yl}-3-(ethanesulfonyl)imidazo[1,2-b]pyridazin-7-yl)-N-methylcyclopropanecarboxamide
null
null
null
InChI=1S/C16H12F6N4O2S.C9H8Cl3NO2S/c1-3-29(27,28)11-5-9(16(20,21)22)6-23-12(11)14-25-10-4-8(15(17,18)19)7-24-13(10)26(14)2;10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h4-7H,3H2,1-2H3;1-2,5-6H,3-4H2
ARWKAFTVQMCMOR-UHFFFAOYSA-N
ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O.CC[S](=O)(=O)C1=C(N=CC(=C1)C(F)(F)F)C1=NC2=CC(=CN=C2N1C)C(F)(F)F
C25H20Cl3F6N5O4S2
null
null
2-[(trichloromethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione; 3-(ethanesulfonyl)-2-[3-methyl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)pyridine
null
null
null
InChI=1S/C14H9F2N3O3S/c1-17-13(20)7-10(18(17)14-5-4-12(16)23-14)9-3-2-8(15)6-11(9)19(21)22/h2-7H,1H3
ARWLVECNFLWXSC-UHFFFAOYSA-N
CN1N(C2=CC=C(F)S2)C(=CC1=O)C1=C(C=C(F)C=C1)[N](=O)=O
C14H9F2N3O3S
CN1N(C2=CC=C(F)S2)C(=CC1=O)C1=C(C=C(F)C=C1)N(=O)=O
null
5-(4-fluoro-2-nitrophenyl)-1-(5-fluorothiophen-2-yl)-2-methyl-2,3-dihydro-1H-pyrazol-3-one
null
null
null
InChI=1S/C41H25NO/c1-2-10-25(11-3-1)28-15-8-17-32-33-18-9-16-29(40(33)43-39(28)32)27-22-23-31-30-14-4-5-19-34(30)41(36(31)24-27)35-20-6-12-26-13-7-21-37(42-41)38(26)35/h1-24,42H
ARWPOJMSFIQLMR-UHFFFAOYSA-N
N1C2=CC=CC3=C2C(=CC=C3)C11C2=CC=CC=C2C2=CC=C(C=C12)C1=C2OC3=C(C=CC=C3C2=CC=C1)C1=CC=CC=C1
C41H25NO
null
null
2-{10-phenyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-6-yl}-3'-azaspiro[fluorene-9,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),4',6',8'(12'),9'-pentaene
null
null
null
InChI=1S/C13H15BrO4/c1-10(15)17-8-2-3-9-18-13(16)11-4-6-12(14)7-5-11/h4-7H,2-3,8-9H2,1H3
ARWPOYUKYIJFSC-UHFFFAOYSA-N
CC(=O)OCCCCOC(=O)C1=CC=C(Br)C=C1
C13H15BrO4
CC(=O)OCCCCOC(=O)C1=CC=C(Br)C=C1
null
4-(4-bromobenzoyloxy)butyl acetate
null
null
null
InChI=1S/C21H18F9N5O/c1-10-6-11(2)35(8-10)15-14(19(22,23)24)7-12(32-17(15)21(28,29)30)4-5-31-18(36)13-9-34(3)33-16(13)20(25,26)27/h6-9H,4-5H2,1-3H3,(H,31,36)
ARWPYADOUPQDQS-UHFFFAOYSA-N
CN1C=C(C(=O)NCCC2=NC(=C(N3C=C(C)C=C3C)C(=C2)C(F)(F)F)C(F)(F)F)C(=N1)C(F)(F)F
C21H18F9N5O
null
null
N-{2-[5-(2,4-dimethyl-1H-pyrrol-1-yl)-4,6-bis(trifluoromethyl)pyridin-2-yl]ethyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
null
null
null
InChI=1S/C24H23ClF2N6O3S/c1-3-33-11-18(27)19(12-33)36-24-21-13(2)30-31-23(21)28-22(29-24)14-4-7-16(8-5-14)32-37(34,35)20-10-15(25)6-9-17(20)26/h4-10,18-19,32H,3,11-12H2,1-2H3,(H,28,29,30,31)/t18-,19+/m1/s1
ARWWQJAREUPHNI-MOPGFXCFSA-N
CCN1C[C@@H](F)[C@H](C1)OC1=C2C(C)=NNC2=NC(=N1)C1=CC=C(N[S](=O)(=O)C2=C(F)C=CC(Cl)=C2)C=C1
C24H23ClF2N6O3S
null
null
5-chloro-N-[4-(4-{[(3S,4R)-1-ethyl-4-fluoropyrrolidin-3-yl]oxy}-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]-2-fluorobenzene-1-sulfonamide
null
null
null
InChI=1S/C31H31FN6O7/c32-24-13-20(38-18-23(17-34-35-33)44-31(38)42)3-6-25(24)37-9-7-36(8-10-37)11-12-43-22-14-26(40)30-27(41)16-28(45-29(30)15-22)19-1-4-21(39)5-2-19/h1-6,13-15,23,28,39-40H,7-12,16-18H2/t23-,28-/m0/s1
ARWXRLPJWRKKBG-FIPFOOKPSA-N
OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(OCCN3CCN(CC3)C3=C(F)C=C(C=C3)N3C[C@H](CN=[N+]=[N-])OC3=O)C=C2O1
C31H31FN6O7
null
null
(5R)-5-(azidomethyl)-3-{3-fluoro-4-[4-(2-{[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}ethyl)piperazin-1-yl]phenyl}-1,3-oxazolidin-2-one
null
null
null
InChI=1S/C21H15ClN4O2/c22-16-9-7-15(8-10-16)20-17-5-1-2-6-18(17)21(28)26(25-20)24-19(27)12-14-4-3-11-23-13-14/h1-11,13H,12H2,(H,24,27)
ARWZEHLIJXZYFV-UHFFFAOYSA-N
ClC1=CC=C(C=C1)C1=NN(NC(=O)CC2=CN=CC=C2)C(=O)C2=CC=CC=C12
C21H15ClN4O2
C1=CC=C2C(=C1)C(=NN(C2=O)NC(=O)CC3=CN=CC=C3)C4=CC=C(C=C4)Cl
N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-pyridin-3-ylacetamide
N-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]-2-(pyridin-3-yl)acetamide
{"alternativeParents":["CHEMONTID:0000209","CHEMONTID:0000208","CHEMONTID:0001099","CHEMONTID:0000089","CHEMONTID:0001030","CHEMONTID:0004144","CHEMONTID:0000265","CHEMONTID:0004139","CHEMONTID:0004557","CHEMONTID:0000278","CHEMONTID:0001516","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"...
{"ca":1,"jp":1,"us":2,"wo":1}
null
InChI=1S/C14H13N3O2/c1-18-12-5-2-10(3-6-12)9-19-13-7-4-11(8-15)14(16)17-13/h2-7H,9H2,1H3,(H2,16,17)
ARWZRJRPANBAIO-UHFFFAOYSA-N
COC1=CC=C(C=C1)COC2=NC(=C(C=C2)C#N)N
C14H13N3O2
COC1=CC=C(C=C1)COC2=NC(=C(C=C2)C#N)N
2-amino-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile
2-amino-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile
{"alternativeParents":["CHEMONTID:0004742","CHEMONTID:0004113","CHEMONTID:0003972","CHEMONTID:0000283","CHEMONTID:0000128","CHEMONTID:0003886","CHEMONTID:0004144","CHEMONTID:0000362","CHEMONTID:0004139","CHEMONTID:0002450","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000138","intermediateNodes":[],"kingdom":"CHEMONT...
null
null
InChI=1S/C124H186N34O54S2/c1-55(179)93(95(128)183)157-123(211)92-54-214-213-53-91(122(210)134-68(28-57-12-4-3-5-13-57)100(188)135-71(31-60-32-129-65-15-7-6-14-63(60)65)102(190)130-67(17-9-11-27-126)98(186)158-94(56(2)180)124(212)156-92)155-101(189)70(30-59-20-24-62(182)25-21-59)133-99(187)69(29-58-18-22-61(181)23-19-58...
ARXAWZRGDUXJLJ-MISRQVDRSA-N
[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O...
C124H186N34O54S2
null
null
(2S)-6-amino-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-hydro...
null
null
null
InChI=1S/C18H26N2O/c21-18(15-8-3-1-4-9-15)19-16-10-7-13-20(14-16)17-11-5-2-6-12-17/h2,5-6,11-12,15-16H,1,3-4,7-10,13-14H2,(H,19,21)/t16-/m0/s1
ARXHASRZOLINBX-INIZCTEOSA-N
C1CCC(CC1)C(=O)N[C@H]2CCCN(C2)C3=CC=CC=C3
C18H26N2O
C1CCC(CC1)C(=O)NC2CCCN(C2)C3=CC=CC=C3
N-[(3S)-1-phenylpiperidin-3-yl]cyclohexanecarboxamide
N-[(3S)-1-phenylpiperidin-3-yl]cyclohexanecarboxamide
{"intermediateNodes":[],"alternativeParents":["CHEMONTID:0003901","CHEMONTID:0000284","CHEMONTID:0001663","CHEMONTID:0000347","CHEMONTID:0004139","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"substituents":["Phenylpiperidine","Dialkylarylamine","Aniline or substituted anilines","Monocyclic benzene moiet...
{"jp":1,"wo":2,"ep":2,"ca":1,"us":1}
null
InChI=1S/C16H18BrNO2/c17-13-8-6-12(7-9-13)16(15(20)10-11-19)18-14-4-2-1-3-5-14/h1-9,15-16,18-20H,10-11H2/t15-,16+/m0/s1
ARXHKJOVOYRZGD-JKSUJKDBSA-N
OCC[C@H](O)[C@H](NC1=CC=CC=C1)C1=CC=C(Br)C=C1
C16H18BrNO2
null
null
(3S,4R)-4-(4-bromophenyl)-4-(phenylamino)butane-1,3-diol
null
null
null
InChI=1S/C18H20N2O8/c1-25-11-27-15-7-5-13(17(9-15)19(21)22)3-4-14-6-8-16(28-12-26-2)10-18(14)20(23)24/h5-10H,3-4,11-12H2,1-2H3
ARXNSOKTVMDSIX-UHFFFAOYSA-N
COCOC1=CC(=C(CCC2=C(C=C(OCOC)C=C2)[N](=O)=O)C=C1)[N](=O)=O
C18H20N2O8
null
null
4-(methoxymethoxy)-1-{2-[4-(methoxymethoxy)-2-nitrophenyl]ethyl}-2-nitrobenzene
null
null
null
InChI=1S/C17H15ClN4OS/c1-2-12-9-24-16(22-12)14-15(13(5-6-19-14)10-3-4-10)23-17-20-7-11(18)8-21-17/h5-10H,2-4H2,1H3
ARXOPDUFCLESDH-UHFFFAOYSA-N
CCC1=CSC(=N1)C1=C(OC2=NC=C(Cl)C=N2)C(=CC=N1)C1CC1
C17H15ClN4OS
null
null
5-chloro-2-{[4-cyclopropyl-2-(4-ethyl-1,3-thiazol-2-yl)pyridin-3-yl]oxy}pyrimidine
null
null
null
InChI=1S/C16H19NO5/c1-3-22-16(20)14(18)13-5-4-10-17(13)15(19)11-6-8-12(21-2)9-7-11/h6-9,13H,3-5,10H2,1-2H3/t13-/m0/s1
ARXQTOODUFXOQK-ZDUSSCGKSA-N
CCOC(=O)C(=O)[C@@H]1CCCN1C(=O)C2=CC=C(C=C2)OC
C16H19NO5
CCOC(=O)C(=O)C1CCCN1C(=O)C2=CC=C(C=C2)OC
ethyl 2-[(2S)-1-(4-methoxybenzoyl)pyrrolidin-2-yl]-2-oxoacetate
ethyl 2-[(2S)-1-(4-methoxybenzoyl)pyrrolidin-2-yl]-2-oxoacetate
null
null
null
InChI=1S/C20H17Cl2F2N7O2/c1-10-8-16(11(2)7-15(10)30-19(22)25-18(21)26-30)33-9-13-12(17(23)24)5-4-6-14(13)31-20(32)29(3)27-28-31/h4-8,17H,9H2,1-3H3
ARXVCMJVAFYGAY-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(COC2=C(C)C=C(N3N=C(Cl)N=C3Cl)C(C)=C2)C(=CC=C1)C(F)F
C20H17Cl2F2N7O2
null
null
1-(2-{[4-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-2,5-dimethylphenoxy]methyl}-3-(difluoromethyl)phenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C14H18N2OS2/c1-2-11-9-19-14(16(11)6-7-17)15-12-4-3-10-5-8-18-13(10)12/h5,8-9,12,17H,2-4,6-7H2,1H3
ARXVELWZWGHDMV-UHFFFAOYSA-N
CCC1=CSC(=NC2CCC3=C2SC=C3)N1CCO
C14H18N2OS2
null
null
2-[2-({4H,5H,6H-cyclopenta[b]thiophen-6-yl}imino)-4-ethyl-2,3-dihydro-1,3-thiazol-3-yl]ethan-1-ol
null
null
null
InChI=1S/C34H42F2N2O3S/c1-33(2,3)24-9-7-10-25(20-24)34(14-5-4-6-15-34)37-22-30(40)28(19-23-17-26(35)21-27(36)18-23)38-32(41)13-12-29(39)31-11-8-16-42-31/h7-11,16-18,20-21,28,30,37,40H,4-6,12-15,19,22H2,1-3H3,(H,38,41)
ARXYZDLPVJPWGA-UHFFFAOYSA-N
CC(C)(C)C1=CC=CC(=C1)C1(CCCCC1)NCC(O)C(CC1=CC(F)=CC(F)=C1)NC(=O)CCC(=O)C1=CC=CS1
C34H42F2N2O3S
CC(C)(C)C1=CC=CC(=C1)C2(CCCCC2)NCC(C(CC3=CC(=CC(=C3)F)F)NC(=O)CCC(=O)C4=CC=CS4)O
N-[4-[[1-(3-tert-butylphenyl)cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
N-(4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)-4-oxo-4-(thiophen-2-yl)butanamide
null
{"wo":1,"ca":1,"us":1}
null
InChI=1S/C20H14BrFN6O/c1-12-11-17(28-16(22)8-10-24-28)26-27-18(12)13-5-2-3-7-15(13)25-20(29)14-6-4-9-23-19(14)21/h2-11H,1H3,(H,25,29)
ARYCEIYCWKGWQB-UHFFFAOYSA-N
CC1=C(N=NC(=C1)N1N=CC=C1F)C1=C(NC(=O)C2=C(Br)N=CC=C2)C=CC=C1
C20H14BrFN6O
null
null
2-bromo-N-{2-[6-(5-fluoro-1H-pyrazol-1-yl)-4-methylpyridazin-3-yl]phenyl}pyridine-3-carboxamide
null
null
null
InChI=1S/C24H32N8O4S/c1-32(17(20(33)31-36)8-4-5-12-26-22(25)35)21(34)24(10-11-24)18-14-28-23(37-18)27-13-9-19-29-15-6-2-3-7-16(15)30-19/h2-3,6-7,14,17,36H,4-5,8-13H2,1H3,(H,27,28)(H,29,30)(H,31,33)(H3,25,26,35)/t17-/m1/s1
ARYCOLCSLKRSLU-QGZVFWFLSA-N
CN([C@H](CCCCNC(N)=O)C(=O)NO)C(=O)C1(CC1)C1=CN=C(NCCC2=NC3=CC=CC=C3N2)S1
C24H32N8O4S
null
null
(2R)-2-{1-[1-(2-{[2-(1H-1,3-benzodiazol-2-yl)ethyl]amino}-1,3-thiazol-5-yl)cyclopropyl]-N-methylformamido}-6-(carbamoylamino)-N-hydroxyhexanamide
null
null
null
InChI=1S/C54H70N14O14/c1-30(70)46(53(80)67-43(54(81)82)21-31-7-3-2-4-8-31)68-52(79)44(27-69)62-45(73)26-59-48(75)41(22-34-24-57-28-60-34)65-49(76)39(9-5-6-18-55)63-51(78)42(23-35-25-58-29-61-35)66-50(77)40(20-33-12-16-37(72)17-13-33)64-47(74)38(56)19-32-10-14-36(71)15-11-32/h2-4,7-8,10-17,24-25,28-30,38-44,46,69-72H,5-...
ARYCOOQQFPOBKC-IBRKUQEHSA-N
C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
C54H70N14O14
null
null
(2S)-2-[(2S,3R)-2-[(2S)-2-{2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-5-yl)propanamido]hexanamido]-3-(1H-imidazol-5-yl)propanamido]acetamido}-3-hydroxypropanamido]-3-hydroxybutanamido]-3-phenylpropanoic acid
null
null
null
InChI=1S/C13H6Cl2F2IN5O/c14-7-1-2-8(15)11(24-13-19-3-6(18)4-20-13)10(7)23-21-5-9(22-23)12(16)17/h1-5,12H
ARYCWDLEXHGVIJ-UHFFFAOYSA-N
FC(F)C1=NN(N=C1)C1=C(OC2=NC=C(I)C=N2)C(Cl)=CC=C1Cl
C13H6Cl2F2IN5O
null
null
2-{3,6-dichloro-2-[4-(difluoromethyl)-2H-1,2,3-triazol-2-yl]phenoxy}-5-iodopyrimidine
null
null
null
InChI=1S/C24H21FIN5O3/c1-16(27-34-14-17-6-3-8-19(25)12-17)18-7-4-9-20(13-18)33-15-21-22(26)10-5-11-23(21)31-24(32)30(2)28-29-31/h3-13H,14-15H2,1-2H3
ARYDEPQIAQZYTG-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(COC2=CC(=CC=C2)C(C)=NOCC2=CC(F)=CC=C2)C(I)=CC=C1
C24H21FIN5O3
null
null
1-(2-{[3-(1-{[(3-fluorophenyl)methoxy]imino}ethyl)phenoxy]methyl}-3-iodophenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C25H34N4O4/c1-3-4-5-6-10-22-26-15-21(23(30)20-16-27-33-24(20)17-11-12-17)25(31)29(22)19-9-7-8-18(13-14-19)28-32-2/h15-17,19H,3-14H2,1-2H3
ARYFMVWGVXSACV-UHFFFAOYSA-N
CCCCCCC1=NC=C(C(=O)C2=C(ON=C2)C2CC2)C(=O)N1C1CCCC(CC1)=NOC
C25H34N4O4
null
null
5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-hexyl-3-[4-(methoxyimino)cycloheptyl]-3,4-dihydropyrimidin-4-one
null
null
null
InChI=1S/C14H22O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h8,12H,1-7,9,11,13H2
ARYJRTWVTDWJLA-UHFFFAOYSA-N
C1CCCCCC(=O)C=C=CCCCC1
C14H22O
C1CCCCCC(=O)C=C=CCCCC1
cyclotetradeca-2,3-dien-1-one
cyclotetradeca-2,3-dien-1-one
{"alternativeParents":["CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"CHEMONTID:0003487","intermediateNodes":["CHEMONTID:0000118"],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aliphatic homomonocyclic compounds","subclass":"CHEMONTID:0001831","substituents":["Cyclic ketone","Organic oxide","Hydrocarbon...
{"us":6}
null
InChI=1S/C22H33N7O6S/c1-24-12-21(31)27(2)15-7-9-28(10-8-15)13-18(30)22-25-20(14-34-3)26-29(22)17-6-5-16(35-4)11-19(17)36(23,32)33/h5-6,11,15,24H,7-10,12-14H2,1-4H3,(H2,23,32,33)
ARYMOMPKGVQQDX-UHFFFAOYSA-N
CNCC(=O)N(C)C1CCN(CC(=O)C2=NC(COC)=NN2C2=C(C=C(OC)C=C2)[S](N)(=O)=O)CC1
C22H33N7O6S
CNCC(=O)N(C)C1CCN(CC(=O)C2=NC(COC)=NN2C2=C(C=C(OC)C=C2)S(N)(=O)=O)CC1
null
N-(1-{2-[1-(4-methoxy-2-sulfamoylphenyl)-3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]-2-oxoethyl}piperidin-4-yl)-N-methyl-2-(methylamino)acetamide
null
null
null
InChI=1S/C20H16ClF3IN7O2S/c1-10-7-16(12(21)8-15(10)31-18(35-3)26-17(27-31)20(22,23)24)34-9-11-13(25)5-4-6-14(11)32-19(33)30(2)28-29-32/h4-8H,9H2,1-3H3
ARYPFRUGTCKOLS-UHFFFAOYSA-N
CSC1=NC(=NN1C1=C(C)C=C(OCC2=C(C=CC=C2I)N2N=NN(C)C2=O)C(Cl)=C1)C(F)(F)F
C20H16ClF3IN7O2S
null
null
1-[2-({2-chloro-5-methyl-4-[5-(methylsulfanyl)-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl]phenoxy}methyl)-3-iodophenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C23H19N11O2/c1-12(16-10-33(31-29-16)17-6-4-3-5-13(17)23(35)36)34-22-19(21(24)26-11-27-22)20(30-34)15-7-25-9-18-14(15)8-28-32(18)2/h3-12H,1-2H3,(H,35,36)(H2,24,26,27)
ARYRMEHYMGDXRV-UHFFFAOYSA-N
CC(C1=CN(N=N1)C2=CC=CC=C2C(=O)O)N3C4=NC=NC(=C4C(=N3)C5=CN=CC6=C5C=NN6C)N
C23H19N11O2
CC(C1=CN(N=N1)C2=CC=CC=C2C(=O)O)N3C4=NC=NC(=C4C(=N3)C5=CN=CC6=C5C=NN6C)N
2-[4-[1-[4-amino-3-(1-methylpyrazolo[5,4-c]pyridin-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]triazol-1-yl]benzoic acid
2-{4-[1-(4-amino-3-{1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1H-1,2,3-triazol-1-yl}benzoic acid
null
null
null
InChI=1S/C17H16ClN5OS/c1-10(2)21-15-7-13(19-9-20-15)14-8-25-17(22-14)23-16(24)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,20,21)(H,22,23,24)
ARYWCGLTJXQHQT-UHFFFAOYSA-N
CC(C)NC1=CC(=NC=N1)C1=CSC(NC(=O)C2=CC=C(Cl)C=C2)=N1
C17H16ClN5OS
null
null
4-chloro-N-(4-{6-[(propan-2-yl)amino]pyrimidin-4-yl}-1,3-thiazol-2-yl)benzamide
null
null
null
InChI=1S/2C9H9NO.2C5H5.2CHF3O3S.Ti/c2*11-10-6-5-8-3-1-2-4-9(8)7-10;2*1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;/h2*1-4,7H,5-6H2;2*1-5H;2*(H,5,6,7);/q;;2*-1;;;+4/p-2
ARYYJXMBTGAQEX-UHFFFAOYSA-L
[CH-]12[CH]3=[CH]4[Ti+4]1313567([CH-]8[CH]1=[CH]3[CH]5=[CH]68)([CH]2=[CH]47)([O]=[N]1=CC2=CC=CC=C2CC1)[O]=[N]1=CC2=CC=CC=C2CC1.C(F)(F)(F)[S](=O)(=O)[O-] |c:8,12,17,26,28,39,41,t:1,24,37,(10.42,5.19,;8.83,5.69,;6.71,5.42,;8.47,7.42,;6.52,9.64,;8.11,9.15,;10.23,9.42,;9.93,10.07,;7.64,10.21,;9.3,4.62,;7.01,4.76,;6.93,7.42...
C30H28F6N2O8S2Ti
null
null
1,1-bis[(3,4-dihydro-2λ⁵-isoquinolin-2-ylidene)hydroxy]-1-titana-1,1'-spirobi[pentacyclo[2.2.0.0¹,³.0¹,⁵.0²,⁶]hexane]-2,2',4,4'-tetraene-1,1,1,1-tetrakis(ylium)-6,6'-diuide ditrifluoromethanesulfonate
null
null
null
InChI=1S/C24H22F3N5O2S/c1-13-10-14(2)28-21(22(13)34-4)15-8-9-20(16(11-15)23(26)27)35-12-17-18(25)6-5-7-19(17)32-24(33)31(3)29-30-32/h5-11,23H,12H2,1-4H3
ARYYVNJHMNWPRQ-UHFFFAOYSA-N
COC1=C(N=C(C)C=C1C)C1=CC(C(F)F)=C(SCC2=C(C=CC=C2F)N2N=NN(C)C2=O)C=C1
C24H22F3N5O2S
null
null
1-[2-({[2-(difluoromethyl)-4-(3-methoxy-4,6-dimethylpyridin-2-yl)phenyl]sulfanyl}methyl)-3-fluorophenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C25H32N2O3/c1-2-24(28)27(22-11-7-4-8-12-22)23-16-18-26(19-21(23)13-14-25(29)30)17-15-20-9-5-3-6-10-20/h3-12,21,23H,2,13-19H2,1H3,(H,29,30)
ARZAEZUMQGRXHM-UHFFFAOYSA-N
CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1CCC(O)=O)C1=CC=CC=C1
C25H32N2O3
CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1CCC(O)=O)C1=CC=CC=C1
null
3-[1-(2-phenylethyl)-4-(N-phenylpropanamido)piperidin-3-yl]propanoic acid
null
null
null
InChI=1S/C10H11N5O2/c11-10-14-13-9(7-2-1-4-12-6-7)15(10)5-3-8(16)17/h1-2,4,6H,3,5H2,(H2,11,14)(H,16,17)
ARZFGZHQQBVGBS-UHFFFAOYSA-N
NC1=NN=C(N1CCC(O)=O)C1=CN=CC=C1
C10H11N5O2
NC1=NN=C(N1CCC(O)=O)C1=CN=CC=C1
null
3-[3-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl]propanoic acid
null
null
null
InChI=1S/C22H21F4N5O4S/c1-14(32)29-7-9-30(10-8-29)36(33,34)31(18-4-2-3-17(23)12-18)13-16-6-5-15(11-19(16)24)21-27-28-22(35-21)20(25)26/h2-6,11-12,20H,7-10,13H2,1H3
ARZGHZJOHZVMOO-UHFFFAOYSA-N
CC(=O)N1CCN(CC1)S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NN=C(O3)C(F)F)F)C4=CC(=CC=C4)F
C22H21F4N5O4S
CC(=O)N1CCN(CC1)S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NN=C(O3)C(F)F)F)C4=CC(=CC=C4)F
4-acetyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)piperazine-1-sulfonamide
4-acetyl-N-({4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl}methyl)-N-(3-fluorophenyl)piperazine-1-sulfonamide
null
null
null
InChI=1S/C46H52BrN9O4/c1-50-39-24-33(10-12-35(39)56(46(50)60)38-13-14-41(57)48-43(38)58)53-26-28(27-53)25-51-19-17-31(18-20-51)52-21-15-29(16-22-52)30-9-11-36-40(23-30)54(32-5-2-3-6-32)45-49-44(59)42-34(47)7-4-8-37(42)55(36)45/h4,7-12,23-24,28-29,31-32,38H,2-3,5-6,13-22,25-27H2,1H3,(H,48,57,58)
ARZHNWIAXAUWIT-UHFFFAOYSA-N
CN1C(=O)N(C2CCC(=O)NC2=O)C2=CC=C(C=C12)N1CC(CN2CCC(CC2)N2CCC(CC2)C2=CC=C3N4C(=NC(=O)C5=C(Br)C=CC=C45)N(C4CCCC4)C3=C2)C1
C46H52BrN9O4
null
null
3-(5-{3-[(4-{6-bromo-11-cyclopentyl-8-oxo-1,9,11-triazatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,9,12,14,16-heptaen-14-yl}-[1,4'-bipiperidin]-1'-yl)methyl]azetidin-1-yl}-3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)piperidine-2,6-dione
null
null
null
InChI=1S/C25H31ClN4O6S2/c26-19-6-1-4-17(15-19)14-18-5-2-12-30(16-18)24(31)23-22(7-3-13-37(23,33)34)29-25(32)28-20-8-10-21(11-9-20)38(27,35)36/h1,4,6,8-11,15,18,22-23H,2-3,5,7,12-14,16H2,(H2,27,35,36)(H2,28,29,32)
ARZJHNKYGDPJIZ-UHFFFAOYSA-N
N[S](=O)(=O)C1=CC=C(NC(=O)NC2CCC[S](=O)(=O)C2C(=O)N2CCCC(CC3=CC(Cl)=CC=C3)C2)C=C1
C25H31ClN4O6S2
null
null
1-(2-{3-[(3-chlorophenyl)methyl]piperidine-1-carbonyl}-1,1-dioxo-1λ⁶-thian-3-yl)-3-(4-sulfamoylphenyl)urea
null
null
null
InChI=1S/C18H21ClN4O3/c1-4-5-12-10-21-22-11-17(12)26-14-6-7-15(19)13(8-14)9-16(23-25-3)18(24)20-2/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,24)/b23-16+
ARZJUGXEASDJAG-XQNSMLJCSA-N
CCCC1=CN=NC=C1OC1=CC(C\C(=N/OC)C(=O)NC)=C(Cl)C=C1
C18H21ClN4O3
null
null
(2E)-3-{2-chloro-5-[(5-propylpyridazin-4-yl)oxy]phenyl}-2-(methoxyimino)-N-methylpropanamide
null
null
null
InChI=1S/C39H24Cl4F3N5O4/c1-19-14-21(36(53)48-31-17-23(39(44,45)46)8-11-27(31)41)7-13-30(19)47-38(55)26-15-20-4-2-3-5-25(20)34(35(26)52)51-50-33-16-22(6-10-29(33)43)37(54)49-32-18-24(40)9-12-28(32)42/h2-18,52H,1H3,(H,47,55)(H,48,53)(H,49,54)
ARZPNEREYRNAIW-UHFFFAOYSA-N
CC1=C(NC(=O)C2=CC3=C(C=CC=C3)C(N=NC3=CC(=CC=C3Cl)C(=O)NC3=C(Cl)C=CC(Cl)=C3)=C2O)C=CC(=C1)C(=O)NC1=CC(=CC=C1Cl)C(F)(F)F
C39H24Cl4F3N5O4
null
null
N-(4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)-4-(2-{2-chloro-5-[(2,5-dichlorophenyl)carbamoyl]phenyl}diazen-1-yl)-3-hydroxynaphthalene-2-carboxamide
null
null
null
InChI=1S/C22H13BrClNO/c23-18-13-20-22(17-9-5-4-8-16(17)18)26-21-11-10-14(24)12-19(21)25(20)15-6-2-1-3-7-15/h1-13H
ARZPQTBJSJFRGT-UHFFFAOYSA-N
ClC1=CC=C2OC3=C(C=C(Br)C4=CC=CC=C34)N(C3=CC=CC=C3)C2=C1
C22H13BrClNO
null
null
12-bromo-8-chloro-10-phenyl-10H-5-oxa-10-azatetraphene
null
null
null
InChI=1S/C38H39F4N5O4/c1-6-46-35-32(29(44-47(35)28-14-8-7-9-15-28)23-45(5)21-11-16-30(48)51-37(2,3)4)31(24-17-19-27(39)20-18-24)33(36(46)50)43-34(49)25-12-10-13-26(22-25)38(40,41)42/h7-20,22,31,33H,6,21,23H2,1-5H3,(H,43,49)/b16-11+/t31-,33-/m0/s1
ARZQQZQFRSCOBI-FHIJNJGKSA-N
CCN1C(=O)[C@H]([C@H](C2=C1N(N=C2CN(C)C/C=C/C(=O)OC(C)(C)C)C3=CC=CC=C3)C4=CC=C(C=C4)F)NC(=O)C5=CC(=CC=C5)C(F)(F)F
C38H39F4N5O4
CCN1C(=O)C(C(C2=C1N(N=C2CN(C)CC=CC(=O)OC(C)(C)C)C3=CC=CC=C3)C4=CC=C(C=C4)F)NC(=O)C5=CC(=CC=C5)C(F)(F)F
tert-butyl (E)-4-[[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]methyl-methylamino]but-2-enoate
tert-butyl (2E)-4-({[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-5-[3-(trifluoromethyl)benzamido]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-3-yl]methyl}(methyl)amino)but-2-enoate
null
null
null
InChI=1S/C23H32N2O3/c1-7-20-16(2)24-17(3)21(9-8-10-22(26)25(4)5)23(20)28-15-18-11-13-19(27-6)14-12-18/h11-14H,7-10,15H2,1-6H3
ARZSJENGGRGJHP-UHFFFAOYSA-N
CCC1=C(OCC2=CC=C(OC)C=C2)C(CCCC(=O)N(C)C)=C(C)N=C1C
C23H32N2O3
null
null
4-{5-ethyl-4-[(4-methoxyphenyl)methoxy]-2,6-dimethylpyridin-3-yl}-N,N-dimethylbutanamide
null
null
null
InChI=1S/C16H8B2F6.2K/c19-17(20,21)13-8-4-10-2-6-12-14(18(22,23)24)7-3-9-1-5-11(13)16(10)15(9)12;;/h1-8H;;/q-2;2*+1
ARZWTIOBYQRHHI-UHFFFAOYSA-N
[F-][B+3]([F-])([F-])[C-]1=CC=C2C=CC3=[C-](C=CC4=CC=C1C2=C34)[B+3]([F-])([F-])[F-].[K+].[K+]
C16H8B2F6K2
null
null
dipotassium 1,6-bis[tris(λ²-fluoranidyl)-λ¹-boranetriiumyl]pyrene-1,6-diuide
null
null
null
InChI=1S/C10H7FN2O2/c1-2-10(15)13-9-4-3-7(12-6-14)5-8(9)11/h2-5H,1H2,(H,13,15)
ASACHNJYTNCORX-UHFFFAOYSA-N
C=CC(=O)NC1=C(C=C(C=C1)N=C=O)F
C10H7FN2O2
C=CC(=O)NC1=C(C=C(C=C1)N=C=O)F
N-(2-fluoro-4-isocyanatophenyl)prop-2-enamide
N-(2-fluoro-4-isocyanatophenyl)prop-2-enamide
null
null
null
InChI=1S/C16H15ClN2O2S2/c1-10-8-13(9-11(2)12(10)3)14-4-6-18-19(14)23(20,21)15-5-7-22-16(15)17/h4-9H,1-3H3
ASADXKQXJCWGMI-UHFFFAOYSA-N
CC1=CC(=CC(C)=C1C)C1=CC=NN1[S](=O)(=O)C1=C(Cl)SC=C1
C16H15ClN2O2S2
null
null
1-[(2-chlorothiophen-3-yl)sulfonyl]-5-(3,4,5-trimethylphenyl)-1H-pyrazole
null
null
null
InChI=1S/C20H16ClF3N2O4/c1-3-26-18(27)15(13-7-5-6-11-8-9-12(21)10-14(11)13)16(30-19(28)29-4-2)17(25-26)20(22,23)24/h5-10H,3-4H2,1-2H3
ASAFBIIADBNIET-UHFFFAOYSA-N
CCOC(=O)OC1=C(C(=O)N(CC)N=C1C(F)(F)F)C1=CC=CC2=C1C=C(Cl)C=C2
C20H16ClF3N2O4
null
null
5-(7-chloronaphthalen-1-yl)-1-ethyl-6-oxo-3-(trifluoromethyl)-1,6-dihydropyridazin-4-yl ethyl carbonate
null
null
null
InChI=1S/C13H20N2O/c14-8-11-6-7-12(15-9-11)10-16-13-4-2-1-3-5-13/h6-7,9,13H,1-5,8,10,14H2
ASAINUBDVBRRIS-UHFFFAOYSA-N
NCC1=CC=C(COC2CCCCC2)N=C1
C13H20N2O
C1CCC(CC1)OCC2=NC=C(C=C2)CN
[6-(cyclohexyloxymethyl)pyridin-3-yl]methanamine
1-{6-[(cyclohexyloxy)methyl]pyridin-3-yl}methanamine
{"intermediateNodes":[],"alternativeParents":["CHEMONTID:0000089","CHEMONTID:0004144","CHEMONTID:0001167","CHEMONTID:0004139","CHEMONTID:0000469","CHEMONTID:0004150"],"substituents":["Aralkylamine","Pyridine","Heteroaromatic compound","Azacycle","Organoheterocyclic compound","Ether","Dialkyl ether","Organic oxygen comp...
{"us":1}
null
InChI=1S/C21H28/c1-13-9-11-16(12-10-13)20(7)17(4)14(2)18(5)19(6,15(17)3)21(18,20)8/h9-12,15H,2H2,1,3-8H3/t15-,17+,18-,19+,20+,21-/m1/s1
ASAJSCAPNLOQSC-UERYMFTHSA-N
C[C@H]1[C@@]2(C)[C@@]3(C)C(=C)[C@]1(C)[C@](C)(C1=CC=C(C)C=C1)[C@@]23C
C21H28
CC1C2(C)C3(C)C(=C)C1(C)C(C)(C1=CC=C(C)C=C1)C23C
null
(1R,2S,3S,4R,5R,6S)-1,2,3,4,5,6-hexamethyl-7-methylidene-3-(4-methylphenyl)tricyclo[2.2.1.0²,⁶]heptane
null
null
null
InChI=1S/C36H32Cl6N4O4.Fe/c1-6-20-16(2)26-13-31-34(23(36(40,41)42)15-35(37,38)39)19(5)27(46-31)11-24-17(3)21(7-9-32(47)48)29(44-24)14-30-22(8-10-33(49)50)18(4)25(45-30)12-28(20)43-26;/h6,11-14,23H,1,7-10,15H2,2-5H3,(H,47,48)(H,49,50);/q-2;+3
ASAKMLYTNLWABL-UHFFFAOYSA-N
[H+].CC1=C2C=C3C(C=C)=C(C)C4=[N]3[Fe+3]35[N-]6C(=CC7=[N]3C(=CC([N-]25)=C1CCC([O-])=O)C(CCC([O-])=O)=C7C)C(C)=C(C(CC(Cl)(Cl)Cl)C(Cl)(Cl)Cl)C6=C4 |c:1,10,15,17,20,38,56,t:3,7,25,43,(9.25,,;13.85,13.5,;12.87,12.31,;11.35,12.27,;10.58,13.46,;9.2,13.76,;8.69,15.19,;9.46,16.53,;8.69,17.86,;7.1,14.9,;5.9,15.88,;7.13,13.38,;8....
C36H32Cl6FeN4O4
null
null
null
null
null
null
InChI=1S/C73H110N22O24S/c1-37(2)58(95-64(110)43(19-11-12-23-74)85-62(108)44(20-21-56(101)102)86-68(114)51(33-96)92-59(105)38(3)83-60(106)42(75)18-13-24-80-73(77)78)71(117)90-49(30-57(103)104)67(113)94-52(34-97)69(115)88-46(26-39-14-7-5-8-15-39)61(107)81-32-55(100)84-48(29-54(76)99)66(112)93-53(35-98)70(116)89-47(27-40-...
ASAMPILRDQAMDI-NQSQLJHQSA-N
CSCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O
C73H110N22O24S
CSCCC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCC(O)=O)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(N)CCCNC(N)=N)C(C)C)C(=O)NC(CC1=CN=CN1)C(O)=O
null
(4S)-4-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-hydroxyet...
null
null
null
InChI=1S/C15H26N4O7S.C4H6O4/c1-3-19(4-2)15(26)27-8-10(13(23)17-7-12(21)22)18-11(20)6-5-9(16)14(24)25;5-3(6)1-2-4(7)8/h9-10H,3-8,16H2,1-2H3,(H,17,23)(H,18,20)(H,21,22)(H,24,25);1-2H2,(H,5,6)(H,7,8)/t9-,10-;/m0./s1
ASARMMPWBXQVKA-IYPAPVHQSA-N
OC(=O)CCC(O)=O.CCN(CC)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
C19H32N4O11S
null
null
(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(diethylcarbamoyl)sulfanyl]ethyl]carbamoyl}butanoic acid; butanedioic acid
null
null
null
InChI=1S/C28H20Cl2F6N6O7S/c1-3-6-14-18(20-37-25(49-40-20)28(34,35)36)39-42(19-15(29)9-13(10-16(19)30)27(31,32)33)21(14)38-26(46)48-24(22(50)41(2)11-17(43)44)47-23(45)12-7-4-5-8-12/h7,9-10,24H,4-5,8,11H2,1-2H3,(H,38,46)(H,43,44)
ASAZXRHVLRGXLP-UHFFFAOYSA-N
CC#CC1=C(NC(=O)OC(OC(=O)C2=CCCC2)C(=S)N(C)CC(O)=O)N(N=C1C1=NOC(=N1)C(F)(F)F)C1=C(Cl)C=C(C=C1Cl)C(F)(F)F
C28H20Cl2F6N6O7S
null
null
2-[2-(cyclopent-1-ene-1-carbonyloxy)-2-[({1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(prop-1-yn-1-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-pyrazol-5-yl}carbamoyl)oxy]-N-methylethanethioamido]acetic acid
null
null
null
InChI=1S/2C19H28N6O2.Cu/c2*1-19(2)26-15-11-13(20-17-22(3)7-8-23(17)4)14(12-16(15)27-19)21-18-24(5)9-10-25(18)6;/h2*11-12H,7-10H2,1-6H3;/q;;+1
ASBGTQSUGKYVNM-UHFFFAOYSA-N
CN1CCN(C)C1=[N]1C2=CC3=C(OC(C)(C)O3)C=C2[N](=C2N(C)CCN2C)[Cu+]11[N](C2=CC3=C(OC(C)(C)O3)C=C2[N]1=C1N(C)CCN1C)=C1N(C)CCN1C |c:19,44,t:9,11,34,36,(4.72,8.09,;6.11,8.74,;6.41,10.25,;7.93,10.44,;8.58,9.05,;10.1,8.75,;7.46,7.99,;7.65,6.47,;6.18,5.99,;4.85,6.76,;3.51,5.99,;3.51,4.45,;2.05,3.97,;1.14,5.22,;,6.25,;,4.19,;2.05,...
C38H56CuN12O4
null
null
null
null
null
null
InChI=1S/C26H21N7O3/c1-36-25-19-10-13-31(18-7-8-21(29-15-18)32-12-3-2-4-22(32)34)26(35)23(19)33(30-25)17-6-5-16-9-11-28-24(27)20(16)14-17/h2-9,11-12,14-15H,10,13H2,1H3,(H2,27,28)
ASBICWNIAQYZKS-UHFFFAOYSA-N
COC1=NN(C2=C1CCN(C1=CN=C(C=C1)N1C=CC=CC1=O)C2=O)C1=CC2=C(C=CN=C2N)C=C1
C26H21N7O3
null
null
5'-[1-(1-aminoisoquinolin-7-yl)-3-methoxy-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]-2H-[1,2'-bipyridin]-2-one
null
null
null
InChI=1S/C26H32O6/c1-25(2)11-9-16-22(28)21(24-17(23(16)31-25)10-12-26(3,4)32-24)18(27)13-15-7-8-19(29-5)20(14-15)30-6/h7-8,14,28H,9-13H2,1-6H3
ASBINQWIHPVNLF-UHFFFAOYSA-N
COC1=C(OC)C=C(CC(=O)C2=C(O)C3=C(OC(C)(C)CC3)C3=C2OC(C)(C)CC3)C=C1
C26H32O6
null
null
2-(3,4-dimethoxyphenyl)-1-{8-hydroxy-4,4,12,12-tetramethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-9-yl}ethan-1-one
null
null
null
InChI=1S/C20H16F3N7O4S/c1-2-35(32,33)19-17(27-14-4-3-12(11-30(14)19)13-9-24-5-6-25-13)29-8-7-28-15(34-20(21,22)23)10-26-16(28)18(29)31/h3-6,9-11H,2,7-8H2,1H3
ASBJQTWCWYAZRW-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=C2C=CC(=CN12)C1=NC=CN=C1)N1CCN2C(OC(F)(F)F)=CN=C2C1=O
C20H16F3N7O4S
null
null
7-[3-(ethanesulfonyl)-6-(pyrazin-2-yl)imidazo[1,2-a]pyridin-2-yl]-3-(trifluoromethoxy)-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-8-one
null
null
null
InChI=1S/C24H21F4N5O2S/c1-4-13-6-5-7-20(33-24(34)32(2)30-31-33)16(13)12-36-22-10-17(25)14(8-15(22)23(27)28)19-9-18(26)21(35-3)11-29-19/h5-11,23H,4,12H2,1-3H3
ASBKIJVYJADHBC-UHFFFAOYSA-N
CCC1=CC=CC(N2N=NN(C)C2=O)=C1CSC1=C(C=C(C(F)=C1)C1=CC(F)=C(OC)C=N1)C(F)F
C24H21F4N5O2S
null
null
1-[2-({[2-(difluoromethyl)-5-fluoro-4-(4-fluoro-5-methoxypyridin-2-yl)phenyl]sulfanyl}methyl)-3-ethylphenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C23H26ClFINS2/c1-4-7-16(2)14-17(3)29-23(27-18-10-11-20(25)19(24)15-18)12-13-28-22-9-6-5-8-21(22)26/h5-6,8-13,15-17H,4,7,14H2,1-3H3/b13-12+,27-23?
ASBMJZBNNKBETB-DNRLJHGLSA-N
CCCC(C)CC(C)SC(\C=C\SC1=C(I)C=CC=C1)=NC1=CC(Cl)=C(F)C=C1
C23H26ClFINS2
null
null
(2E)-N-(3-chloro-4-fluorophenyl)-3-[(2-iodophenyl)sulfanyl]-1-[(4-methylheptan-2-yl)sulfanyl]prop-2-en-1-imine
null
null
null