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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/C24H25N7O2S2/c25-16-28-24-29(14-21-26-8-10-34-21)19(12-17-4-2-1-3-5-17)20(32)13-30(23(33)18-6-7-18)31(24)15-22-27-9-11-35-22/h1-5,8-11,18-20,32H,6-7,12-15H2/t19-,20-/m1/s1
ARKSMSIEIWAWHA-WOJBJXKFSA-N
O[C@@H]1CN(N(CC2=NC=CS2)C(=NC#N)N(CC2=NC=CS2)[C@@H]1CC1=CC=CC=C1)C(=O)C1CC1
C24H25N7O2S2
null
null
{[(5R,6R)-5-benzyl-1-cyclopropanecarbonyl-6-hydroxy-2,4-bis[(1,3-thiazol-2-yl)methyl]-1,2,4-triazepan-3-ylidene]amino}formonitrile
null
null
null
InChI=1S/C19H15BrClN5O2S2/c1-3-22-18(28)16-15(14-9(2)30-25-19(14)29-16)23-17(27)12-8-13(20)24-26(12)11-7-5-4-6-10(11)21/h4-8H,3H2,1-2H3,(H,22,28)(H,23,27)
ARKUDTBSYPVNIG-UHFFFAOYSA-N
CCNC(=O)C1=C(NC(=O)C2=CC(Br)=NN2C2=C(Cl)C=CC=C2)C2=C(C)SN=C2S1
C19H15BrClN5O2S2
null
null
3-bromo-1-(2-chlorophenyl)-N-[5-(ethylcarbamoyl)-3-methylthieno[2,3-c][1,2]thiazol-4-yl]-1H-pyrazole-5-carboxamide
null
null
null
InChI=1S/C17H16BrNO4S/c1-3-22-17(24)19-14-10-12(18)6-9-15(14)23-16(20)11-4-7-13(21-2)8-5-11/h4-10H,3H2,1-2H3,(H,19,24)
ARKVOEUMJAGGRB-UHFFFAOYSA-N
CCOC(=S)NC1=C(OC(=O)C2=CC=C(OC)C=C2)C=CC(Br)=C1
C17H16BrNO4S
CCOC(=S)NC1=C(OC(=O)C2=CC=C(OC)C=C2)C=CC(Br)=C1
null
4-bromo-2-[(ethoxymethanethioyl)amino]phenyl 4-methoxybenzoate
null
null
null
InChI=1S/C24H22ClF6NS2/c1-2-20(15-5-3-6-15)34-22(32-18-8-4-7-16(13-18)23(26,27)28)11-12-33-21-10-9-17(14-19(21)25)24(29,30)31/h4,7-15,20H,2-3,5-6H2,1H3/b12-11+,32-22?
ARKXKEOLNZHZBQ-VLLHEYMNSA-N
CCC(SC(\C=C\SC1=C(Cl)C=C(C=C1)C(F)(F)F)=NC1=CC(=CC=C1)C(F)(F)F)C1CCC1
C24H22ClF6NS2
null
null
(2E)-3-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-1-[(1-cyclobutylpropyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine
null
null
null
InChI=1S/C18H31F3O3Si2/c1-9-22-17(18(19,20)21,24-26(6,7)8)16(2,23-25(3,4)5)15-13-11-10-12-14-15/h10-14H,9H2,1-8H3/t16-,17-/m0/s1
ARKXYBFMRORPOO-RXQGYGPJSA-N
CCO[C@@](O[Si](C)(C)C)(C(F)(F)F)[C@@](C)(O[Si](C)(C)C)C1=CC=CC=C1
C18H31F3O3Si2
null
null
(4S,5S)-4-ethoxy-2,2,5,7,7-pentamethyl-5-phenyl-4-(trifluoromethyl)-3,6-dioxa-2,7-disilaoctane
null
null
null
InChI=1S/C76H90N4O4.Fe/c1-69(2,3)45-33-41(34-46(65(45)81)70(4,5)6)61-53-25-27-55(77-53)62(42-35-47(71(7,8)9)66(82)48(36-42)72(10,11)12)57-29-31-59(79-57)64(44-39-51(75(19,20)21)68(84)52(40-44)76(22,23)24)60-32-30-58(80-60)63(56-28-26-54(61)78-56)43-37-49(73(13,14)15)67(83)50(38-43)74(16,17)18;/h25-40,81,84H,1-24H3;/q-2...
ARKZZVXWAHZGAT-UHFFFAOYSA-M
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C1=C2C=CC3=[N]2[Fe++]24[N-]5C1=CC=C5C(C1=[N]2C(C=C1)=C(C1=CC=C([N-]41)C3=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C1=CC(=C([O-])C(=C1)C(C)(C)C)C(C)(C)C)=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
C76H89FeN4O4
null
null
null
null
null
null
InChI=1S/C13H10F2N4O3S.Na/c1-6(11-10(12(20)21)5-23-19-11)17-18-13(22)16-9-3-7(14)2-8(15)4-9;/h2-5H,1H3,(H,20,21)(H2,16,18,22);
ARLAMKQEZKFCSV-UHFFFAOYSA-N
[Na].CC(=NNC(=O)NC1=CC(F)=CC(F)=C1)C1=NSC=C1C(O)=O
C13H10F2N4NaO3S
null
null
3-[1-({[(3,5-difluorophenyl)carbamoyl]amino}imino)ethyl]-1,2-thiazole-4-carboxylic acid sodium
null
null
null
InChI=1S/C16H13BrN6O3/c1-24-9-10-8-23(22-21-10)15-12(5-18)13(17)3-4-14(15)26-16-19-6-11(25-2)7-20-16/h3-4,6-8H,9H2,1-2H3
ARLKHBAYPHNSSE-UHFFFAOYSA-N
COCC1=CN(N=N1)C1=C(OC2=NC=C(OC)C=N2)C=CC(Br)=C1C#N
C16H13BrN6O3
null
null
6-bromo-2-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-3-[(5-methoxypyrimidin-2-yl)oxy]benzonitrile
null
null
null
InChI=1S/C24H47NO.CH4O3S.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-23-20-17-18-21-24(25)26;1-5(2,3)4;/h2-23H2,1H3;1H3,(H,2,3,4);1H2
ARLLEJPOCRCILW-UHFFFAOYSA-N
O.C[S](O)(=O)=O.CCCCCCCCCCCCCCCCCCN1CCCCCC1=O
C25H53NO5S
null
null
1-octadecylazepan-2-one methanesulfonic acid hydrate
null
null
null
InChI=1S/C59H65N3O3S/c1-4-6-8-10-12-14-37-64-46-28-21-42(22-29-46)56-57(43-23-30-47(31-24-43)65-38-15-13-11-9-7-5-2)61-59-51(55-36-32-48(40-63)66-55)34-33-49(58(59)60-56)44-25-35-54-52(39-44)50-17-16-18-53(50)62(54)45-26-19-41(3)20-27-45/h19-36,39-40,50,53H,4-18,37-38H2,1-3H3
ARLLIDPSWJLHBD-UHFFFAOYSA-N
CCCCCCCCOC1=CC=C(C=C1)C1=NC2=C(N=C1C1=CC=C(OCCCCCCCC)C=C1)C(=CC=C2C1=CC=C(S1)C=O)C1=CC=C2N(C3CCCC3C2=C1)C1=CC=C(C)C=C1
C59H65N3O3S
null
null
5-{8-[4-(4-methylphenyl)-1H,2H,3H,3aH,4H,8bH-cyclopenta[b]indol-7-yl]-2,3-bis[4-(octyloxy)phenyl]quinoxalin-5-yl}thiophene-2-carbaldehyde
null
null
null
InChI=1S/C36H43ClN4O8/c1-35(2,3)48-33(45)38-18-8-7-11-29(41-34(46)49-36(4,5)6)32(44)47-19-9-10-23-14-17-28-26(20-23)30(42)27(22-39-28)31(43)40-21-24-12-15-25(37)16-13-24/h12-17,20,22,29H,7-8,11,18-19,21H2,1-6H3,(H,38,45)(H,39,42)(H,40,43)(H,41,46)/t29-/m0/s1
ARLPHYMCYDXJJM-LJAQVGFWSA-N
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC#CC1=CC2=C(C=C1)N=CC(C(=O)NCC1=CC=C(Cl)C=C1)=C2O
C36H43ClN4O8
CC(C)(C)OC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)OCC#CC1=CC2=C(C=C1)N=CC(C(=O)NCC1=CC=C(Cl)C=C1)=C2O
null
3-(3-{[(4-chlorophenyl)methyl]carbamoyl}-4-hydroxyquinolin-6-yl)prop-2-yn-1-yl (2S)-2,6-bis({[(tert-butoxy)carbonyl]amino})hexanoate
null
null
null
InChI=1S/C26H27ClN6O4S/c1-3-17-13-23(33(32-17)18-10-16(25(28)29)11-19(14-18)37-2)26(34)31-22-9-8-15(12-21(22)27)20-6-4-5-7-24(20)38(30,35)36/h4-12,14,23H,3,13H2,1-2H3,(H3,28,29)(H,31,34)(H2,30,35,36)
ARLWJPDZLKRHON-UHFFFAOYSA-N
CCC1=NN(C(C1)C(=O)NC1=C(Cl)C=C(C=C1)C1=C(C=CC=C1)[S](N)(=O)=O)C1=CC(=CC(OC)=C1)C(N)=N
C26H27ClN6O4S
null
null
1-(3-carbamimidoyl-5-methoxyphenyl)-N-{3-chloro-2'-sulfamoyl-[1,1'-biphenyl]-4-yl}-3-ethyl-4,5-dihydro-1H-pyrazole-5-carboxamide
null
null
null
InChI=1S/C29H27F2N7O2/c1-3-37-17-24(27(40-37)20-9-10-22(30)23(31)15-20)33-29(39)34-28-18(2)26(35-38(28)21-7-5-4-6-8-21)19-11-13-36-14-12-32-25(36)16-19/h4-16,24,27H,3,17H2,1-2H3,(H2,33,34,39)/t24-,27+/m1/s1
ARLYYKQXZNOPJT-IZZVQOSMSA-N
CCN1C[C@@H](NC(=O)NC2=C(C)C(=NN2C2=CC=CC=C2)C2=CC3=NC=CN3C=C2)[C@@H](O1)C1=CC(F)=C(F)C=C1
C29H27F2N7O2
CCN1CC(NC(=O)NC2=C(C)C(=NN2C2=CC=CC=C2)C2=CC3=NC=CN3C=C2)C(O1)C1=CC(F)=C(F)C=C1
null
3-[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]-1-(3-{imidazo[1,2-a]pyridin-7-yl}-4-methyl-1-phenyl-1H-pyrazol-5-yl)urea
null
null
null
InChI=1S/C25H28F5N3O3/c26-17-8-7-16(21(27)11-17)9-15-3-1-4-18(10-15)31-22-13-35-14-23(22)33-24(34)32-19-5-2-6-20(12-19)36-25(28,29)30/h2,5-8,11-12,15,18,22-23,31H,1,3-4,9-10,13-14H2,(H2,32,33,34)
ARMABJYHRSOSLE-UHFFFAOYSA-N
FC1=CC(F)=C(CC2CCCC(C2)NC2COCC2NC(=O)NC2=CC(OC(F)(F)F)=CC=C2)C=C1
C25H28F5N3O3
null
null
3-[4-({3-[(2,4-difluorophenyl)methyl]cyclohexyl}amino)oxolan-3-yl]-1-[3-(trifluoromethoxy)phenyl]urea
null
null
null
InChI=1S/C25H15I2NO/c26-21-14-19-20(15-22(21)27)25(29)28(24(19)13-16-7-2-1-3-8-16)23-12-6-10-17-9-4-5-11-18(17)23/h1-15H/b24-13+
ARMIBOFYHYSRKM-ZMOGYAJESA-N
IC1=C(I)C=C2\C(=C/C3=CC=CC=C3)N(C(=O)C2=C1)C1=CC=CC2=C1C=CC=C2
C25H15I2NO
null
null
(3E)-5,6-diiodo-2-(naphthalen-1-yl)-3-(phenylmethylidene)-2,3-dihydro-1H-isoindol-1-one
null
null
null
InChI=1S/C28H56N8O7.ClH/c1-17(2)16-20(32)24(38)33-15-9-6-11-21(26(40)35-22(28(42)43)12-5-8-14-30)34-27(41)23(18(3)37)36-25(39)19(31)10-4-7-13-29;/h17-23,37H,4-16,29-32H2,1-3H3,(H,33,38)(H,34,41)(H,35,40)(H,36,39)(H,42,43);1H
ARMLESICZAWFCF-UHFFFAOYSA-N
Cl.CC(C)CC(N)C(=O)NCCCCC(NC(=O)C(NC(=O)C(N)CCCCN)C(C)O)C(=O)NC(CCCCN)C(O)=O
C28H57ClN8O7
null
null
6-amino-2-[6-(2-amino-4-methylpentanamido)-2-[2-(2,6-diaminohexanamido)-3-hydroxybutanamido]hexanamido]hexanoic acid hydrochloride
null
null
null
InChI=1S/C19H23NO2.ClH/c1-2-8-20-9-7-19-12-15(22)5-6-16(19)18(20)10-13-3-4-14(21)11-17(13)19;/h2-4,11,16,18,21H,1,5-10,12H2;1H/t16-,18+,19-;/m0./s1
ARMMLYJSHYCSLD-DDBXZWFTSA-N
C=CCN1CC[C@]23CC(=O)CC[C@H]2[C@H]1CC4=C3C=C(C=C4)O.Cl
C19H24ClNO2
C=CCN1CCC23CC(=O)CCC2C1CC4=C3C=C(C=C4)O.Cl
(1S,9R,10R)-4-hydroxy-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;hydrochloride
(1S,9R,10R)-4-hydroxy-17-(prop-2-en-1-yl)-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6-trien-13-one hydrochloride
{"alternativeParents":["CHEMONTID:0000025","CHEMONTID:0004007","CHEMONTID:0002054","CHEMONTID:0000048","CHEMONTID:0003899","CHEMONTID:0004646","CHEMONTID:0000195","CHEMONTID:0002239","CHEMONTID:0003487","CHEMONTID:0004139","CHEMONTID:0003940","CHEMONTID:0003921","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000058","...
null
null
InChI=1S/C54H49N7O3/c62-51-25-24-48(53(63)58-51)44-12-6-9-42(34-44)8-2-1-5-27-59-30-32-60(33-31-59)28-7-10-39-14-16-40(17-15-39)18-19-41-20-22-43(23-21-41)54(64)61-29-26-46-36-56-52(57-50(46)38-61)47-35-45-11-3-4-13-49(45)55-37-47/h3-4,6,9,11-23,34-37,48H,1,5,24-33,38H2,(H,58,62,63)/b19-18+
ARMPOQOYBFOUOX-VHEBQXMUSA-N
C1CC(=O)NC(=O)C1C2=CC=CC(=C2)C#CCCCN3CCN(CC3)CC#CC4=CC=C(C=C4)/C=C/C5=CC=C(C=C5)C(=O)N6CCC7=CN=C(N=C7C6)C8=CC9=CC=CC=C9N=C8
C54H49N7O3
C1CC(=O)NC(=O)C1C2=CC=CC(=C2)C#CCCCN3CCN(CC3)CC#CC4=CC=C(C=C4)C=CC5=CC=C(C=C5)C(=O)N6CCC7=CN=C(N=C7C6)C8=CC9=CC=CC=C9N=C8
3-[3-[5-[4-[3-[4-[(E)-2-[4-(2-quinolin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)phenyl]ethenyl]phenyl]prop-2-ynyl]piperazin-1-yl]pent-1-ynyl]phenyl]piperidine-2,6-dione
3-(3-{5-[4-(3-{4-[(E)-2-{4-[2-(quinolin-3-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]phenyl}ethenyl]phenyl}prop-2-yn-1-yl)piperazin-1-yl]pent-1-yn-1-yl}phenyl)piperidine-2,6-dione
null
null
null
InChI=1S/C19H18ClF4N5O/c1-29-10-18(19(22,23)24,7-4-11-5-8-26-9-6-11)14-13(3-2-12(21)15(14)20)27-17(29)28-16(25)30/h2-3,5-6,8-9H,4,7,10H2,1H3,(H3,25,27,28,30)/t18-/m1/s1
ARMQALVHFCYXMF-GOSISDBHSA-N
CN1C[C@](CCC2=CC=NC=C2)(C2=C(Cl)C(F)=CC=C2N=C1NC(N)=O)C(F)(F)F
C19H18ClF4N5O
CN1CC(CCC2=CC=NC=C2)(C2=C(Cl)C(F)=CC=C2N=C1NC(N)=O)C(F)(F)F
null
[(5S)-6-chloro-7-fluoro-3-methyl-5-[2-(pyridin-4-yl)ethyl]-5-(trifluoromethyl)-4,5-dihydro-3H-1,3-benzodiazepin-2-yl]urea
null
null
null
InChI=1S/C14H17N5O7S2.C13H7ClF2N4O3/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3;14-7-5-17-13(18-6-7)22-9-2-1-3-20(21)11(9)8-4-10(12(15)16)23-19-8/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20);1-6,12H
ARMVFUFRNOEHQT-UHFFFAOYSA-N
FC(F)C1=CC(=NO1)C1=C(OC2=NC=C(Cl)C=N2)C=CC=[N]1=O.CC[S](=O)(=O)C1=C(N=CC=C1)[S](=O)(=O)NC(=O)NC1=NC(OC)=CC(OC)=N1
C27H24ClF2N9O10S2
null
null
1-(4,6-dimethoxypyrimidin-2-yl)-3-{[3-(ethanesulfonyl)pyridin-2-yl]sulfonyl}urea; 3-[(5-chloropyrimidin-2-yl)oxy]-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-1λ⁵-pyridin-1-one
null
null
null
InChI=1S/C29H41N7O5/c1-5-22-29-35-34-28(41-29)21(15-19-10-7-6-8-11-19)33-25(38)18(4)31-26(39)20(14-17(2)3)32-24(37)16-30-27(40)23-12-9-13-36(22)23/h6-8,10-11,17-18,20-23H,5,9,12-16H2,1-4H3,(H,30,40)(H,31,39)(H,32,37)(H,33,38)/t18-,20-,21-,22-,23-/m0/s1
ARMXFIOHHKOMHI-SVXFZJLFSA-N
[H][C@@]12CCCN1[C@@H](CC)C1=NN=C(O1)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC2=O
C29H41N7O5
null
null
(2S,7S,13S,16S,19S)-19-benzyl-2-ethyl-16-methyl-13-(2-methylpropyl)-23-oxa-3,9,12,15,18,21,22-heptaazatricyclo[18.2.1.0³,⁷]tricosa-1(22),20-diene-8,11,14,17-tetrone
null
null
null
InChI=1S/C27H35F2NO2S2/c1-6-31-25-14-12-22(18-26(25)32-7-2)33-16-15-27(34-20(5)10-8-9-19(3)4)30-24-17-21(28)11-13-23(24)29/h11-20H,6-10H2,1-5H3/b16-15+,30-27?
ARMXKTHNWOSFED-CNDLKILGSA-N
CCOC1=C(OCC)C=C(S\C=C\C(SC(C)CCCC(C)C)=NC2=C(F)C=CC(F)=C2)C=C1
C27H35F2NO2S2
null
null
(2E)-3-[(3,4-diethoxyphenyl)sulfanyl]-N-(2,5-difluorophenyl)-1-[(6-methylheptan-2-yl)sulfanyl]prop-2-en-1-imine
null
null
null
InChI=1S/C18H21NO5/c20-16-10-9-15(17(21)19-16)11-1-5-13(6-2-11)24-14-7-3-12(4-8-14)18(22)23/h1-2,5-6,12,14-15H,3-4,7-10H2,(H,22,23)(H,19,20,21)/t12-,14-,15?
AIUHPHIATKDQHC-FJVAONGCSA-N
OC(=O)[C@H]1CC[C@@H](CC1)OC1=CC=C(C=C1)C1CCC(=O)NC1=O
C18H21NO5
null
null
(1r,4r)-4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexane-1-carboxylic acid
null
null
null
InChI=1S/C17H13F5N4OS/c1-25-8-14(10-7-23-5-4-11(10)17(20,21)22)26(16(25)27)15(28)24-13-3-2-9(18)6-12(13)19/h2-7,14H,8H2,1H3,(H,24,28)
AIUHYRUIEGNVDR-UHFFFAOYSA-N
CN1CC(N(C(=S)NC2=C(F)C=C(F)C=C2)C1=O)C1=CN=CC=C1C(F)(F)F
C17H13F5N4OS
null
null
N-(2,4-difluorophenyl)-3-methyl-2-oxo-5-[4-(trifluoromethyl)pyridin-3-yl]imidazolidine-1-carbothioamide
null
null
null
InChI=1S/C45H75N13O12/c1-23(2)20-32-41(66)53-28(12-16-46)37(62)52-30(14-18-48)40(65)58-36(25(5)60)44(69)49-19-15-31(54-43(68)34(22-59)57-45(70)35(24(3)4)50-26(6)61)39(64)51-29(13-17-47)38(63)56-33(42(67)55-32)21-27-10-8-7-9-11-27/h7-11,23-25,28-36,59-60H,12-22,46-48H2,1-6H3,(H,49,69)(H,50,61)(H,51,64)(H,52,62)(H,53,66)...
AIUMGWVGLFGGBP-LHQPEXFKSA-N
C[C@H]([C@H]1C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCN)CCN)CC(C)C)CC2=CC=CC=C2)CCN)NC(=O)[C@@H](CO)NC(=O)[C@H](C(C)C)NC(=O)C)O
C45H75N13O12
CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CCN)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C)C(C)O)CCN)CCN
(2S)-2-acetamido-N-[(2R)-3-hydroxy-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]propan-2-yl]-3-methylbutanamide
(2S)-2-acetamido-N-[(1R)-2-hydroxy-1-{[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}ethyl]-3-methylbutanamide
null
null
null
InChI=1S/C15H19N3O2/c1-11(2)14-9-18(8-13-4-6-16-7-5-13)15(17-14)10-20-12(3)19/h4-7,9,11H,8,10H2,1-3H3
AIUQYKLWWBZSOR-UHFFFAOYSA-N
CC(C)C1=CN(CC2=CC=NC=C2)C(COC(C)=O)=N1
C15H19N3O2
CC(C)C1=CN(C(=N1)COC(=O)C)CC2=CC=NC=C2
[4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methyl acetate
[4-(propan-2-yl)-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl]methyl acetate
null
{"de":1,"jp":2,"cn":2,"ep":5,"ca":2,"us":3}
null
InChI=1S/C28H20F3N3O3S/c29-28(30,31)27-32-24-16-15-22(26(35)33-38(36,37)23-9-5-2-6-10-23)17-25(24)34(27)18-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1-17H,18H2,(H,33,35)
AIUXILSRYZBGHQ-UHFFFAOYSA-N
FC(F)(F)C1=NC2=CC=C(C=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N[S](=O)(=O)C1=CC=CC=C1
C28H20F3N3O3S
C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C4=C(C=CC(=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5)N=C3C(F)(F)F
N-(benzenesulfonyl)-3-[(4-phenylphenyl)methyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide
N-(benzenesulfonyl)-1-({[1,1'-biphenyl]-4-yl}methyl)-2-(trifluoromethyl)-1H-1,3-benzodiazole-6-carboxamide
{"intermediateNodes":[],"alternativeParents":["CHEMONTID:0000031","CHEMONTID:0004233","CHEMONTID:0000294","CHEMONTID:0002311","CHEMONTID:0000270","CHEMONTID:0003137","CHEMONTID:0004144","CHEMONTID:0004139","CHEMONTID:0000265","CHEMONTID:0004150","CHEMONTID:0003940","CHEMONTID:0001517","CHEMONTID:0000278","CHEMONTID:000...
{"jp":3,"wo":1,"ep":3,"ca":2,"us":6}
null
InChI=1S/C17H9BrCl2FIN2O/c1-24-15(16(25)10-4-2-8(18)6-12(10)19)14(17(20)23-24)11-5-3-9(21)7-13(11)22/h2-7H,1H3
AIUYJRICQDROEH-UHFFFAOYSA-N
CN1N=C(Cl)C(=C1C(=O)C1=C(Cl)C=C(Br)C=C1)C1=C(I)C=C(F)C=C1
C17H9BrCl2FIN2O
null
null
5-(4-bromo-2-chlorobenzoyl)-3-chloro-4-(4-fluoro-2-iodophenyl)-1-methyl-1H-pyrazole
null
null
null
InChI=1S/C83H151N17O18/c1-24-48(18)64(77(111)89-55(36-42(6)7)70(104)86-40-61(102)87-54(32-29-30-34-84)71(105)95-68(52(22)28-5)81(115)99-66(50(20)26-3)79(113)91-58(83(117)118)39-45(12)13)97-76(110)63(47(16)17)94-80(114)67(51(21)27-4)96-73(107)59(41-101)92-74(108)60-33-31-35-100(60)82(116)57(38-44(10)11)90-78(112)65(49(1...
AIUYUHSVFAHIQY-UNSHHYAHSA-N
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O
C83H151N17O18
null
null
(2S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-methylpentanamido]-3-methylbutanamido]-3-methylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-methylpentanamido]-3-meth...
null
null
null
InChI=1S/C23H18ClN3O4S/c1-13-21(14(2)28)22(15-6-8-17(24)9-7-15)19(11-25)23(26-13)32-12-20(29)16-4-3-5-18(10-16)27(30)31/h3-10,22,26H,12H2,1-2H3
AIVAPJJOOUKBSI-UHFFFAOYSA-N
CC(=O)C1=C(C)NC(SCC(=O)C2=CC(=CC=C2)[N](=O)=O)=C(C#N)C1C1=CC=C(Cl)C=C1
C23H18ClN3O4S
CC(=O)C1=C(C)NC(SCC(=O)c2cccc([N+](=O)[O-])c2)=C(C#N)C1c1ccc(Cl)cc1
5-acetyl-4-(4-chlorophenyl)-6-methyl-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile
5-acetyl-4-(4-chlorophenyl)-6-methyl-2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
{"alternativeParents":["CHEMONTID:0000036","CHEMONTID:0003671","CHEMONTID:0000321","CHEMONTID:0004612","CHEMONTID:0001099","CHEMONTID:0000367","CHEMONTID:0001030","CHEMONTID:0003890","CHEMONTID:0001168","CHEMONTID:0003260","CHEMONTID:0003633","CHEMONTID:0004139","CHEMONTID:0002228","CHEMONTID:0000362","CHEMONTID:000150...
null
null
InChI=1S/C10H23N/c1-10(2)8-6-5-7-9-11(3)4/h10H,5-9H2,1-4H3
AIVGHALKDNEHNX-UHFFFAOYSA-N
CC(C)CCCCCN(C)C
C10H23N
CC(C)CCCCCN(C)C
N,N,6-trimethylheptan-1-amine
dimethyl(6-methylheptyl)amine
{"alternativeparents":["CHEMONTID:0004150"],"class":"CHEMONTID:0000278","directparent":"CHEMONTID:0002239","intermediatenodes":["CHEMONTID:0002452"],"kingdom":"CHEMONTID:0000000","molecularframework":"Aliphatic acyclic compounds","subclass":"CHEMONTID:0002449","substituents":["Tertiary aliphatic amine","Hydrocarbon der...
{"ca":1,"cn":5,"de":6,"ep":1,"gb":1,"jp":6,"us":14,"wo":6}
null
InChI=1S/C23H14F5N7O3S/c1-2-39(37,38)22-21(33-18-4-13(8-32-35(18)22)20-16(25)5-15(24)10-30-20)34-11-31-17(6-19(34)36)12-3-14(9-29-7-12)23(26,27)28/h3-11H,2H2,1H3
AIVJJXOLPMQFLE-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=C2C=C(C=NN12)C1=C(F)C=C(F)C=N1)N1C=NC(=CC1=O)C1=CN=CC(=C1)C(F)(F)F
C23H14F5N7O3S
CCS(=O)(=O)C1=C(N=C2C=C(C=NN12)C1=C(F)C=C(F)C=N1)N1C=NC(=CC1=O)C1=CN=CC(=C1)C(F)(F)F
null
3-[7-(3,5-difluoropyridin-2-yl)-3-(ethanesulfonyl)imidazo[1,2-b]pyridazin-2-yl]-6-[5-(trifluoromethyl)pyridin-3-yl]-3,4-dihydropyrimidin-4-one
null
null
null
InChI=1S/C16H25NO5S/c1-11(2)10-17(15(12(3)4)16(18)19)23(20,21)14-8-6-13(22-5)7-9-14/h6-9,11-12,15H,10H2,1-5H3,(H,18,19)/t15-/m1/s1
AIVKGOKVUIVYGE-OAHLLOKOSA-N
COC1=CC=C(C=C1)[S](=O)(=O)N(CC(C)C)[C@H](C(C)C)C(O)=O
C16H25NO5S
null
null
(2R)-3-methyl-2-[N-(2-methylpropyl)4-methoxybenzenesulfonamido]butanoic acid
null
null
null
InChI=1S/C12H20Ge/c1-2-9(1)13(10-3-4-10,11-5-6-11)12-7-8-12/h9-12H,1-8H2
AIVNAJGGEIFFMX-UHFFFAOYSA-N
C1CC1[Ge](C1CC1)(C1CC1)C1CC1
C12H20Ge
C1CC1[Ge](C2CC2)(C3CC3)C4CC4
tetracyclopropylgermane
tetracyclopropylgermane
{"alternativeparents":["CHEMONTID:0004150"],"class":"CHEMONTID:0001370","directparent":"CHEMONTID:0001370","intermediatenodes":[],"kingdom":"CHEMONTID:0000000","molecularframework":"Aliphatic homomonocyclic compounds","substituents":["Hydrocarbon derivative","Organic metalloid moeity","Aliphatic homomonocyclic compound...
null
null
InChI=1S/C36H22Br2N2/c37-29-14-16-32-33(19-29)35(25-9-5-23(6-10-25)27-3-1-17-39-21-27)31-15-13-30(38)20-34(31)36(32)26-11-7-24(8-12-26)28-4-2-18-40-22-28/h1-22H
AIVNVSIXNPPXAR-UHFFFAOYSA-N
BrC1=CC2=C(C=C1)C(C1=CC=C(C=C1)C1=CN=CC=C1)=C1C=C(Br)C=CC1=C2C1=CC=C(C=C1)C1=CN=CC=C1
C36H22Br2N2
null
null
3-(4-{2,6-dibromo-10-[4-(pyridin-3-yl)phenyl]anthracen-9-yl}phenyl)pyridine
null
null
null
InChI=1S/C14H13ClFN5OS/c1-7-10(6-17)21(4)19-11(7)12-9(16)5-8(15)13(18-12)23-14(22)20(2)3/h5H,1-4H3
AIVPCWIEZOWVEW-UHFFFAOYSA-N
CN(C)C(=O)SC1=NC(C2=NN(C)C(C#N)=C2C)=C(F)C=C1Cl
C14H13ClFN5OS
null
null
1-{[3-chloro-6-(5-cyano-1,4-dimethyl-1H-pyrazol-3-yl)-5-fluoropyridin-2-yl]sulfanyl}-N,N-dimethylformamide
null
null
null
InChI=1S/C17H14ClNO3S/c1-19(11-12-7-3-2-4-8-12)17(20)16-15(18)13-9-5-6-10-14(13)23(16,21)22/h2-10H,11H2,1H3
AIVQNKGJYKVUMV-UHFFFAOYSA-N
CN(CC1=CC=CC=C1)C(=O)C1=C(Cl)C2=CC=CC=C2[S]1(=O)=O
C17H14ClNO3S
null
null
N-benzyl-3-chloro-N-methyl-1,1-dioxo-1λ⁶-benzothiophene-2-carboxamide
null
null
null
InChI=1S/C30H34FN3O/c31-24-11-10-22-16-21(8-9-23(22)17-24)20-34-26-12-13-27(34)19-25(18-26)32-30(35)28-6-2-3-7-29(28)33-14-4-1-5-15-33/h2-3,6-11,16-17,25-27H,1,4-5,12-15,18-20H2,(H,32,35)/t25-,26-,27+
AIVQQWMRXBLFQN-OJXFFNQFSA-N
[H][C@]12CC[C@]([H])(C[C@H](C1)NC(=O)C1=C(C=CC=C1)N1CCCCC1)N2CC1=CC2=C(C=C1)C=C(F)C=C2
C30H34FN3O
O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc2cc(F)ccc2c1)c1ccccc1N1CCCCC1
null
N-[(1R,3S,5S)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(piperidin-1-yl)benzamide
{"alternativeParents":["CHEMONTID:0004000","CHEMONTID:0000023","CHEMONTID:0004413","CHEMONTID:0000492","CHEMONTID:0000284","CHEMONTID:0003901","CHEMONTID:0000321","CHEMONTID:0003899","CHEMONTID:0003449","CHEMONTID:0001031","CHEMONTID:0003890","CHEMONTID:0002239","CHEMONTID:0001663","CHEMONTID:0000347","CHEMONTID:000413...
null
null
InChI=1S/C25H30FN9O/c1-17(2)35-16-29-23-21(35)14-20(30-24(23)36-3)19-6-8-27-25(31-19)32-22-5-4-18(15-28-22)34-12-10-33(9-7-26)11-13-34/h4-6,8,14-17H,7,9-13H2,1-3H3,(H,27,28,31,32)
AIVSMJBVGMTMDA-UHFFFAOYSA-N
COC1=C2N=CN(C(C)C)C2=CC(=N1)C1=NC(NC2=CC=C(C=N2)N2CCN(CCF)CC2)=NC=C1
C25H30FN9O
null
null
N-{5-[4-(2-fluoroethyl)piperazin-1-yl]pyridin-2-yl}-4-[4-methoxy-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]pyrimidin-2-amine
null
null
null
InChI=1S/C30H45FO3/c1-17-8-13-29-15-14-28(7)27(6)12-9-19-25(3,4)22(32)10-11-26(19,5)20(27)16-21(31)30(28,34-24(29)33)23(29)18(17)2/h17-21,23H,8-16H2,1-7H3/t17-,18+,19+,20-,21-,23-,26+,27-,28+,29+,30+/m1/s1
AIVWOQQBPVCDAM-KTSFFQQDSA-N
C[C@@H]1CC[C@]23CC[C@]4([C@@]5(CC[C@@H]6[C@@]([C@H]5C[C@H]([C@@]4([C@@H]2[C@H]1C)OC3=O)F)(CCC(=O)C6(C)C)C)C)C
C30H45FO3
CC1CCC23CCC4(C5(CCC6C(C(=O)CCC6(C5CC(C4(C2C1C)OC3=O)F)C)(C)C)C)C
(1S,4S,5R,8R,13R,14R,16R,17S,18R,19S,20R)-16-fluoro-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-10,23-dione
(1S,4S,5R,8R,13R,14R,16R,17S,18R,19S,20R)-16-fluoro-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosane-10,23-dione
null
null
null
InChI=1S/C11H7F3N2S/c12-11(13,14)9-3-1-7(2-4-9)5-8(6-15)10(16)17/h1-5H,(H2,16,17)
AIVYBGKWUUJUJO-UHFFFAOYSA-N
NC(=S)C(=CC1=CC=C(C=C1)C(F)(F)F)C#N
C11H7F3N2S
NC(=S)C(=CC1=CC=C(C=C1)C(F)(F)F)C#N
2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enethioamide
2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enethioamide
{"alternativeParents":["CHEMONTID:0000510","CHEMONTID:0001230","CHEMONTID:0000362","CHEMONTID:0001198","CHEMONTID:0001517","CHEMONTID:0004150","CHEMONTID:0001027"],"directParent":"CHEMONTID:0004551","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aromatic homomonocyclic compounds","subclass":...
null
null
InChI=1S/C22H19ClN4O3S/c1-2-31(29)8-7-30-21(28)9-18(16-5-3-15(10-24)4-6-16)19(12-26)20-14-27-13-17(11-25)22(20)23/h3-6,13-14,18-19H,2,7-9H2,1H3/t18-,19+,31?/m1/s1
AIVYTIYZTBAZHH-ATNGIIDMSA-N
CC[S](=O)CCOC(=O)C[C@@H]([C@H](C#N)C1=CN=CC(C#N)=C1Cl)C1=CC=C(C=C1)C#N
C22H19ClN4O3S
null
null
2-(ethanesulfinyl)ethyl (3S,4S)-4-(4-chloro-5-cyanopyridin-3-yl)-4-cyano-3-(4-cyanophenyl)butanoate
null
null
null
InChI=1S/C18H15F2N5O5/c1-4-27-17(21-12-8-15(28-9-12)30-16(19)20)29-10-13-11(2)6-5-7-14(13)25-18(26)24(3)22-23-25/h1,5-9,16H,10H2,2-3H3
AIWBHJOFHBKGNH-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(COC(OC#C)=NC2=COC(OC(F)F)=C2)C(C)=CC=C1
C18H15F2N5O5
null
null
1-{2-[({[5-(difluoromethoxy)furan-3-yl]imino}(ethynyloxy)methoxy)methyl]-3-methylphenyl}-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C24H32N4O3/c1-3-14-27-23(29)20-22(26(24(27)30)15-9-16-31-2)25-21(19-12-7-8-13-19)28(20)17-18-10-5-4-6-11-18/h4-6,10-11,19H,3,7-9,12-17H2,1-2H3
AIWDIRKJHBFWSQ-UHFFFAOYSA-N
CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCOC
C24H32N4O3
CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCOC
7-benzyl-8-cyclopentyl-3-(3-methoxypropyl)-1-propylpurine-2,6-dione
7-benzyl-8-cyclopentyl-3-(3-methoxypropyl)-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
{"alternativeParents":["CHEMONTID:0001505","CHEMONTID:0000279","CHEMONTID:0000291","CHEMONTID:0002311","CHEMONTID:0002279","CHEMONTID:0003890","CHEMONTID:0004144","CHEMONTID:0000517","CHEMONTID:0000160","CHEMONTID:0001167","CHEMONTID:0004139","CHEMONTID:0000278","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"...
{"de":1,"ep":1,"fi":1,"us":1,"wo":1}
null
InChI=1S/C18H21Cl2N3O/c1-13-7-4-5-8-14(13)9-6-12-23(22(2)3)18(24)17-15(19)10-11-16(20)21-17/h4-5,7-8,10-11H,6,9,12H2,1-3H3
AIWGVKIEUCLAQC-UHFFFAOYSA-N
CN(C)N(CCCC1=C(C)C=CC=C1)C(=O)C1=C(Cl)C=CC(Cl)=N1
C18H21Cl2N3O
null
null
3,6-dichloro-N',N'-dimethyl-N-[3-(2-methylphenyl)propyl]pyridine-2-carbohydrazide
null
null
null
InChI=1S/C27H25F4N3O7S/c1-32-23(27(29,30)31)13-24(35)33(26(32)37)18-12-22(19(34(38)39)11-17(18)28)42-21-10-6-5-9-20(21)40-15-25(36)41-14-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14-15H2,1H3
AIWIKIIFDHNOKD-UHFFFAOYSA-N
CN1C(=O)N(C(=O)C=C1C(F)(F)F)C1=CC(SC2=C(OCC(=O)OCC3CCCCC3)C=CC=C2)=C(C=C1F)[N](=O)=O
C27H25F4N3O7S
null
null
cyclohexylmethyl 2-[2-({4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]-2-nitrophenyl}sulfanyl)phenoxy]acetate
null
null
null
InChI=1S/C8H13N5O2/c14-8(15)6-13-10-5-7(11-13)12-3-1-9-2-4-12/h5,9H,1-4,6H2,(H,14,15)
AIWJFAGGGAHJMW-UHFFFAOYSA-N
OC(=O)CN1N=CC(=N1)N1CCNCC1
C8H13N5O2
null
null
2-[4-(piperazin-1-yl)-2H-1,2,3-triazol-2-yl]acetic acid
null
null
null
InChI=1S/C16H18F8N2OS2/c1-9-6-11(17)10(7-12(9)29-8-15(20,21)16(22,23)24)13(25)26-27-4-2-3-5-28-14(18)19/h6-7,14H,2-5,8H2,1H3,(H2,25,26)
AIWJQXOFWULUEI-UHFFFAOYSA-N
CC1=C(SCC(F)(F)C(F)(F)F)C=C(C(=N)NOCCCCSC(F)F)C(F)=C1
C16H18F8N2OS2
null
null
N-{4-[(difluoromethyl)sulfanyl]butoxy}-2-fluoro-4-methyl-5-[(2,2,3,3,3-pentafluoropropyl)sulfanyl]benzene-1-carboximidamide
null
null
null
InChI=1S/C28H28FN3O5S/c1-2-37-26-11-8-21(16-24(26)29)38(35,36)32-14-12-19(13-15-32)23-17-31(18-27(33)34)28-22(23)9-10-25(30-28)20-6-4-3-5-7-20/h3-11,16-17,19H,2,12-15,18H2,1H3,(H,33,34)
AIWLIQHQYXSSIU-UHFFFAOYSA-N
CCOC1=C(F)C=C(C=C1)[S](=O)(=O)N1CCC(CC1)C1=CN(CC(O)=O)C2=NC(=CC=C12)C1=CC=CC=C1
C28H28FN3O5S
null
null
2-{3-[1-(4-ethoxy-3-fluorobenzenesulfonyl)piperidin-4-yl]-6-phenyl-1H-pyrrolo[2,3-b]pyridin-1-yl}acetic acid
null
null
null
InChI=1S/C14H14N4O2.ClH/c19-13(11-18-9-5-2-6-10-18)16-17-14(20)15-12-7-3-1-4-8-12;/h1-10H,11H2,(H2-,15,16,17,19,20);1H
AIWNDTJBKGEVQD-UHFFFAOYSA-N
[Cl-].O=C(C[N+]1=CC=CC=C1)NNC(=O)NC1=CC=CC=C1
C14H15ClN4O2
null
null
1-({[(phenylcarbamoyl)amino]carbamoyl}methyl)pyridin-1-ium chloride
null
null
null
InChI=1S/C85H139N31O21S2/c1-42(2)33-54(105-62(122)38-101-60(120)36-100-61(121)37-102-69(125)50(86)19-12-28-96-82(88)89)71(127)110-57-40-138-139-41-58(75(131)112-64(43(3)4)77(133)103-39-63(123)104-51(68(87)124)20-13-29-97-83(90)91)111-78(134)65(44(5)6)113-80(136)67(46(8)118)115-72(128)55(34-47-17-10-9-11-18-47)108-70(12...
AIWOKYHUIDOAGH-FJNCKOIOSA-N
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]([H])(NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](N)CCC...
C85H139N31O21S2
null
null
(2S)-N-[(3S,6S,9S,12S,15R,20R,23S,26S,29S,34aS)-6-benzyl-15-{[(1S)-1-[({[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}-3,29-bis(3-carbamimidamidopropyl)-9,26-bis[(1R)-1-hydroxyethyl]-23-[(4-hydroxyphenyl)methyl]-1,4,7,10,13,21,24,27,30-nonaoxo-12-(propan-2-yl)-dotriaconta...
null
null
null
InChI=1S/C27H33NO/c1-2-9-23(18-19-27(29)28-21-20-22-10-5-3-6-11-22)25-14-16-26(17-15-25)24-12-7-4-8-13-24/h2,4,7-8,10,12-17,23H,1,3,5-6,9,11,18-21H2,(H,28,29)
AIWPHFQFBZGSCH-UHFFFAOYSA-N
C=CCC(CCC(=O)NCCC1=CCCCC1)C1=CC=C(C=C1)C1=CC=CC=C1
C27H33NO
null
null
4-{[1,1'-biphenyl]-4-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]hept-6-enamide
null
null
null
InChI=1S/C24H24FN7O3S/c1-4-8-30-36(33,34)23-22(19-11-29-21(12-28-19)35-15-24(2,3)14-26)31-20-6-5-16(13-32(20)23)18-10-17(25)7-9-27-18/h5-7,9-13,30H,4,8,15H2,1-3H3
AIXCYHRHXLODRJ-UHFFFAOYSA-N
CCCN[S](=O)(=O)C1=C(N=C2C=CC(=CN12)C1=CC(F)=CC=N1)C1=NC=C(OCC(C)(C)C#N)N=C1
C24H24FN7O3S
null
null
2-[5-(2-cyano-2,2-dimethylethoxy)pyrazin-2-yl]-6-(4-fluoropyridin-2-yl)-N-propylimidazo[1,2-a]pyridine-3-sulfonamide
null
null
null
InChI=1S/C14H16N2O3/c17-12(16-19)10-2-1-9-3-4-14(8-11(9)7-10)5-6-15-13(14)18/h1-2,7,19H,3-6,8H2,(H,15,18)(H,16,17)/t14-/m1/s1
AIXDSXUVBJCLLU-CQSZACIVSA-N
C1C[C@@]2(CCNC2=O)CC3=C1C=CC(=C3)C(=O)NO
C14H16N2O3
C1CC2(CCNC2=O)CC3=C1C=CC(=C3)C(=O)NO
(7S)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
(2S)-N-hydroxy-2'-oxo-3,4-dihydro-1H-spiro[naphthalene-2,3'-pyrrolidine]-7-carboxamide
null
null
null
InChI=1S/C21H22FN7O3S/c1-12-8-23-9-16(27(2)3)18(12)15-11-33-20(24-15)32-10-13-17(31-5)7-6-14(22)19(13)29-21(30)28(4)25-26-29/h6-9,11H,10H2,1-5H3
AIXHLXIWHNBFAE-UHFFFAOYSA-N
COC1=CC=C(F)C(N2N=NN(C)C2=O)=C1COC1=NC(=CS1)C1=C(C)C=NC=C1N(C)C
C21H22FN7O3S
null
null
1-{2-[({4-[3-(dimethylamino)-5-methylpyridin-4-yl]-1,3-thiazol-2-yl}oxy)methyl]-6-fluoro-3-methoxyphenyl}-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C27H36ClNOS2/c1-5-7-8-10-21(3)22(4)32-27(29-24-15-13-23(28)14-16-24)17-19-31-26-12-9-11-25(20-26)30-18-6-2/h9,11-17,19-22H,5-8,10,18H2,1-4H3/b19-17+,29-27?
AIXNXXQMPBCECJ-XTVMZJABSA-N
CCCCCC(C)C(C)SC(\C=C\SC1=CC(OCCC)=CC=C1)=NC1=CC=C(Cl)C=C1
C27H36ClNOS2
null
null
(2E)-N-(4-chlorophenyl)-1-[(3-methyloctan-2-yl)sulfanyl]-3-[(3-propoxyphenyl)sulfanyl]prop-2-en-1-imine
null
null
null
InChI=1S/C12H26O2/c1-3-4-5-6-7-8-9-12(14)10-11(2)13/h11-14H,3-10H2,1-2H3/t11-,12-/m0/s1
AIXQDNQWGXWIPQ-RYUDHWBXSA-N
CCCCCCCC[C@H](O)C[C@H](C)O
C12H26O2
CCCCCCCCC(O)CC(C)O
null
(2S,4S)-dodecane-2,4-diol
null
null
null
InChI=1S/C27H20F6N2O4/c1-14-5-3-7-16(11-14)23(36)26(24(37)34-20-10-9-19(28)21(29)22(20)30)18(13-35(2)25(26)38)15-6-4-8-17(12-15)39-27(31,32)33/h3-12,18H,13H2,1-2H3,(H,34,37)
AIXRLMJFDHAPLZ-UHFFFAOYSA-N
CN1CC(C2=CC(OC(F)(F)F)=CC=C2)C(C(=O)NC2=C(F)C(F)=C(F)C=C2)(C(=O)C2=CC(C)=CC=C2)C1=O
C27H20F6N2O4
null
null
1-methyl-3-(3-methylbenzoyl)-2-oxo-4-[3-(trifluoromethoxy)phenyl]-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
null
null
null
InChI=1S/C22H28F4N6O5/c1-28-2-4-30(5-3-28)21(34)32-7-6-29(8-9-36-32)18-16(23)10-14(11-17(18)24)31-13-15(37-22(31)35)12-27-20(33)19(25)26/h10-11,15,19H,2-9,12-13H2,1H3,(H,27,33)/t15-/m0/s1
AIXRXEOJEYDNFI-HNNXBMFYSA-N
CN1CCN(CC1)C(=O)N2CCN(CCO2)C3=C(C=C(C=C3F)N4C[C@@H](OC4=O)CNC(=O)C(F)F)F
C22H28F4N6O5
CN1CCN(CC1)C(=O)N2CCN(CCO2)C3=C(C=C(C=C3F)N4CC(OC4=O)CNC(=O)C(F)F)F
N-[[(5S)-3-[3,5-difluoro-4-[2-(4-methylpiperazine-1-carbonyl)-1,2,5-oxadiazepan-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-difluoroacetamide
N-{[(5S)-3-{3,5-difluoro-4-[2-(4-methylpiperazine-1-carbonyl)-1,2,5-oxadiazepan-5-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}-2,2-difluoroacetamide
{"intermediateNodes":["CHEMONTID:0002315"],"alternativeParents":["CHEMONTID:0000284","CHEMONTID:0003901","CHEMONTID:0003358","CHEMONTID:0001100","CHEMONTID:0000196","CHEMONTID:0001031","CHEMONTID:0001162","CHEMONTID:0002239","CHEMONTID:0001663","CHEMONTID:0004140","CHEMONTID:0004139","CHEMONTID:0003940","CHEMONTID:0001...
{"ep":2,"us":3}
null
InChI=1S/C16H14Cl2O/c1-2-15(17,18)16(19,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12,19H,1H2
AIXUDMZHPSJZAQ-UHFFFAOYSA-N
OC(C1=CC=CC=C1)(C1=CC=CC=C1)C(Cl)(Cl)C=C
C16H14Cl2O
null
null
2,2-dichloro-1,1-diphenylbut-3-en-1-ol
null
null
null
InChI=1S/C20H16Cl2F2O4S/c1-10-3-4-12(14-6-5-13(21)8-15(14)19(23)24)7-16(10)20(22)17(25)9-29(27,28)11(2)18(20)26/h3-8,11,19H,9H2,1-2H3
AIXVZYIJKRYIDG-UHFFFAOYSA-N
CC1C(=O)C(Cl)(C(=O)C[S]1(=O)=O)C1=CC(=CC=C1C)C1=C(C=C(Cl)C=C1)C(F)F
C20H16Cl2F2O4S
null
null
4-chloro-4-[4'-chloro-2'-(difluoromethyl)-4-methyl-[1,1'-biphenyl]-3-yl]-2-methyl-1λ⁶-thiane-1,1,3,5-tetrone
null
null
null
InChI=1S/C22H28N4O4/c1-6-15-19(13(2)11-18(23)25-15)14-7-8-17-16(12-14)26(10-9-24-21(28)29-5)20(27)22(3,4)30-17/h7-8,11-12H,6,9-10H2,1-5H3,(H2,23,25)(H,24,28)
AIYAXCCYSDCWBH-UHFFFAOYSA-N
CCC1=C(C(=CC(=N1)N)C)C2=CC3=C(C=C2)OC(C(=O)N3CCNC(=O)OC)(C)C
C22H28N4O4
CCc1nc(N)cc(C)c1-c1ccc2c(c1)N(CCNC(=O)OC)C(=O)C(C)(C)O2
methyl N-[2-[6-(6-amino-2-ethyl-4-methylpyridin-3-yl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl]carbamate
methyl N-{2-[6-(6-amino-2-ethyl-4-methylpyridin-3-yl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethyl}carbamate
null
null
null
InChI=1S/C17H15FN6O/c1-17(2)8-23(10-21-17)16(25)11-3-12-7-24(13-5-19-9-20-6-13)22-15(12)14(18)4-11/h3-7,9-10H,8H2,1-2H3
AIYCHXYQZVIFMK-UHFFFAOYSA-N
CC1(C)CN(C=N1)C(=O)C1=CC2=CN(N=C2C(F)=C1)C1=CN=CN=C1
C17H15FN6O
null
null
5-(4,4-dimethyl-4,5-dihydro-1H-imidazole-1-carbonyl)-7-fluoro-2-(pyrimidin-5-yl)-2H-indazole
null
null
null
InChI=1S/C29H27FN2O6S/c1-16(33)38-26-24(25(34)28(2,3)27(35)29(26,4)5)23(39)14-21(17-8-6-10-19(30)12-17)22(15-31)18-9-7-11-20(13-18)32(36)37/h6-13,21-22H,14H2,1-5H3
AIYCKGUIAPWDOB-UHFFFAOYSA-N
CC(=O)OC1=C(C(=S)CC(C(C#N)C2=CC(=CC=C2)[N](=O)=O)C2=CC(F)=CC=C2)C(=O)C(C)(C)C(=O)C1(C)C
C29H27FN2O6S
null
null
2-[4-cyano-3-(3-fluorophenyl)-4-(3-nitrophenyl)butanethioyl]-4,4,6,6-tetramethyl-3,5-dioxocyclohex-1-en-1-yl acetate
null
null
null
InChI=1S/C16H14BrF4NOS2/c1-2-25(23)15-9-22-6-5-11(15)8-13(18)10-3-4-14(12(17)7-10)24-16(19,20)21/h3-7,9,13H,2,8H2,1H3
AIYFZLCPAFXTJU-UHFFFAOYSA-N
CC[S](=O)C1=CN=CC=C1CC(F)C1=CC(Br)=C(SC(F)(F)F)C=C1
C16H14BrF4NOS2
null
null
4-(2-{3-bromo-4-[(trifluoromethyl)sulfanyl]phenyl}-2-fluoroethyl)-3-(ethanesulfinyl)pyridine
null
null
null
InChI=1S/C24H16F6N6O2S/c1-2-39(37,38)22-21(18-10-32-20(11-31-18)36-13-17(9-33-36)24(28,29)30)34-19-8-5-15(12-35(19)22)14-3-6-16(7-4-14)23(25,26)27/h3-13H,2H2,1H3
AIYIPLDGSGZPNI-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=C2C=CC(=CN12)C1=CC=C(C=C1)C(F)(F)F)C1=NC=C(N=C1)N1C=C(C=N1)C(F)(F)F
C24H16F6N6O2S
null
null
2-[3-(ethanesulfonyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-5-[4-(trifluoromethyl)-1H-pyrazol-1-yl]pyrazine
null
null
null
InChI=1S/C25H22N2O7/c1-15-4-6-16(7-5-15)23-26-14-19(25(30)34-18-10-11-33-22(28)13-18)24(29)27(23)20-12-17(31-2)8-9-21(20)32-3/h4-9,12-14H,10-11H2,1-3H3
AIYIVDIQORYNSJ-UHFFFAOYSA-N
COC1=CC(N2C(=O)C(=CN=C2C2=CC=C(C)C=C2)C(=O)OC2=CC(=O)OCC2)=C(OC)C=C1
C25H22N2O7
null
null
6-oxo-3,6-dihydro-2H-pyran-4-yl 1-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylate
null
null
null
InChI=1S/C17H26BrN5O2/c1-17(2,3)25-16(24)22-8-6-21(7-9-22)13-4-5-23(12-13)15-11-19-14(18)10-20-15/h10-11,13H,4-9,12H2,1-3H3
AIYKTVUYVUUMEI-UHFFFAOYSA-N
CC(C)(C)OC(=O)N1CCN(CC1)C1CCN(C1)C1=NC=C(Br)N=C1
C17H26BrN5O2
CC(C)(C)OC(=O)N1CCN(CC1)C1CCN(C1)C1=NC=C(Br)N=C1
null
tert-butyl 4-[1-(5-bromopyrazin-2-yl)pyrrolidin-3-yl]piperazine-1-carboxylate
null
null
null
InChI=1S/C27H30N4O/c1-19-16-20(2)30-26(29-19)28-18-22-17-27(12-13-27)14-15-31(22)25(32)24-11-7-6-10-23(24)21-8-4-3-5-9-21/h3-11,16,22H,12-15,17-18H2,1-2H3,(H,28,29,30)/t22-/m0/s1
AIYMKXGINFWVQY-QFIPXVFZSA-N
CC1=CC(=NC(=N1)NC[C@@H]2CC3(CC3)CCN2C(=O)C4=CC=CC=C4C5=CC=CC=C5)C
C27H30N4O
CC1=CC(=NC(=N1)NCC2CC3(CC3)CCN2C(=O)C4=CC=CC=C4C5=CC=CC=C5)C
[(7S)-7-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-phenylphenyl)methanone
N-{[(5S)-6-{[1,1'-biphenyl]-2-carbonyl}-6-azaspiro[2.5]octan-5-yl]methyl}-4,6-dimethylpyrimidin-2-amine
{"alternativeParents":["CHEMONTID:0000041","CHEMONTID:0000178","CHEMONTID:0000321","CHEMONTID:0001262","CHEMONTID:0001664","CHEMONTID:0004144","CHEMONTID:0004139","CHEMONTID:0004557","CHEMONTID:0000323","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0002449"],"directParent":"CHEMONTID:0002621","intermediateNodes":[...
{"ca":1,"in":1,"us":2,"wo":1}
null
InChI=1S/C55H34N4O/c1-3-16-35(17-4-1)53-56-54(36-18-5-2-6-19-36)58-55(57-53)40-30-31-41(49(34-40)59-47-27-12-9-24-43(47)44-25-10-13-28-48(44)59)37-21-15-22-38(32-37)46-33-39-20-7-8-23-42(39)52-51(46)45-26-11-14-29-50(45)60-52/h1-34H
AIYNKJPVAXMMMA-UHFFFAOYSA-N
O1C2=CC=CC=C2C2=C(C=C3C=CC=CC3=C12)C1=CC=CC(=C1)C1=C(C=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)N1C2=CC=CC=C2C2=CC=CC=C12
C55H34N4O
O1C2=CC=CC=C2C2=C(C=C3C=CC=CC3=C12)C1=CC=CC(=C1)C1=C(C=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)N1C2=CC=CC=C2C2=CC=CC=C12
null
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-{17-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1,3,5,7,9,11,13,15-octaen-9-yl}-[1,1'-biphenyl]-2-yl]-9H-carbazole
null
null
null
InChI=1S/C57H36N2/c1-3-16-39(17-4-1)54-36-55(59-56(58-54)41-18-5-2-6-19-41)40-30-28-38(29-31-40)48-35-53-49(34-47(48)43-32-27-37-15-7-8-20-42(37)33-43)46-23-11-14-26-52(46)57(53)50-24-12-9-21-44(50)45-22-10-13-25-51(45)57/h1-36H
AIYRRRXYPULVTB-UHFFFAOYSA-N
C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC6=C(C=C5C7=CC8=CC=CC=C8C=C7)C9=CC=CC=C9C61C2=CC=CC=C2C2=CC=CC=C12
C57H36N2
C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC6=C(C=C5C7=CC8=CC=CC=C8C=C7)C9=CC=CC=C9C61C2=CC=CC=C2C2=CC=CC=C12
4-[4-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2,6-diphenylpyrimidine
4-{4-[3-(naphthalen-2-yl)-9,9'-spirobi[fluoren]-2-yl]phenyl}-2,6-diphenylpyrimidine
null
null
null
InChI=1S/C20H23NO2/c1-4-17-6-5-7-19(14-17)21-16(3)12-13-23-20(22)18-10-8-15(2)9-11-18/h5-11,14H,4,12-13H2,1-3H3
AIYVNLMJQIKGML-UHFFFAOYSA-N
CCC1=CC=CC(=C1)N=C(C)CCOC(=O)C1=CC=C(C)C=C1
C20H23NO2
null
null
3-[(3-ethylphenyl)imino]butyl 4-methylbenzoate
null
null
null
InChI=1S/C13H11BrN2O/c1-2-5-10-6-3-4-7-12(10)17-13-15-8-11(14)9-16-13/h2-4,6-9H,1,5H2
AIYXUHKDRNUOCF-UHFFFAOYSA-N
BrC1=CN=C(OC2=C(CC=C)C=CC=C2)N=C1
C13H11BrN2O
BrC1=CN=C(OC2=C(CC=C)C=CC=C2)N=C1
null
5-bromo-2-[2-(prop-2-en-1-yl)phenoxy]pyrimidine
null
null
null
InChI=1S/C39H38N5.Pt/c1-37(2,3)26-18-27(38(4,5)6)20-31(19-26)43(29-16-17-33-32(22-29)35-36(39(33,7)8)41-24-40-35)28-13-11-14-30(21-28)44-34-15-10-9-12-25(34)23-42-44;/h9-20,23-24H,1-8H3;/q-3;+3/i7D3,8D3;
AIYYLDPSFOIKNT-ASAAVCCISA-N
[2H]C([2H])([2H])C1(C2=C3C4=C1N=C[N-]4[Pt+3]14[C-]5=C(C=CC=C5N5C6=CC=CC=C6C=[N]15)N(C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C=C2)=[C-]34)C([2H])([2H])[2H] |c:5,7,10,17,19,25,27,37,39,51,t:15,23,30,35,53,(1.97,13.09,;1.57,11.61,;.48,12.7,;.08,11.21,;2.65,10.52,;3.47,9.35,;4.71,9.79,;4.68,10.95,;3.59,11.63,;4.12,12.94,;5.48,12...
C39H38N5Pt
[2H]C([2H])([2H])C1(C2=C3C4=C1N=C[N-]4[Pt+3]14[C-]5=C(C=CC=C5N5C6=CC=CC=C6C=[N]15)N(C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C=C2)=[C-]34)C([2H])([2H])[2H]
null
null
null
null
null
InChI=1S/C15H13BrCl3F2NO3S/c1-8(2)25-7-22-13(26(23,24)15(19,20)21)6-10(16)14(22)9-3-4-11(17)12(18)5-9/h3-6,8H,7H2,1-2H3
AIZALLRQYDMALM-UHFFFAOYSA-N
CC(C)OCN1C(=CC(Br)=C1C1=CC(Cl)=C(Cl)C=C1)[S](=O)(=O)C(F)(F)Cl
C15H13BrCl3F2NO3S
null
null
3-bromo-5-chlorodifluoromethanesulfonyl-2-(3,4-dichlorophenyl)-1-[(propan-2-yloxy)methyl]-1H-pyrrole
null
null
null
InChI=1S/C18H16BrN3O/c1-12-15-3-2-4-17(16(15)9-10-20-12)22-18(23)21-11-13-5-7-14(19)8-6-13/h2-10H,11H2,1H3,(H2,21,22,23)
AIZANHBRKBMGOV-UHFFFAOYSA-N
CC1=NC=CC2=C1C=CC=C2NC(=O)NCC3=CC=C(C=C3)Br
C18H16BrN3O
CC1=NC=CC2=C1C=CC=C2NC(=O)NCC3=CC=C(C=C3)Br
1-[(4-bromophenyl)methyl]-3-(1-methylisoquinolin-5-yl)urea
1-[(4-bromophenyl)methyl]-3-(1-methylisoquinolin-5-yl)urea
{"alternativeParents":["CHEMONTID:0004152","CHEMONTID:0001098","CHEMONTID:0001029","CHEMONTID:0004144","CHEMONTID:0000517","CHEMONTID:0004139","CHEMONTID:0000278","CHEMONTID:0001515","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"CHEMONTID:0002566","intermediateNodes":[],"kingdom":"CHEMONT...
{"ca":1,"ep":4,"jp":5,"us":10,"wo":2}
null
InChI=1S/C41H43ClN6O7/c1-40(2)38(41(3,4)39(40)55-27-7-5-24(21-43)30(42)20-27)46-34(50)25-6-10-31(44-22-25)23-13-15-47(16-14-23)17-18-54-26-8-9-28-29(19-26)37(53)48(36(28)52)32-11-12-33(49)45-35(32)51/h5-10,19-20,22-23,32,38-39H,11-18H2,1-4H3,(H,46,50)(H,45,49,51)/t32?,38-,39-
AIZAZHSDMRYKKG-GFYKNJBQSA-N
CC1(C)[C@H](NC(=O)C2=CC=C(N=C2)C2CCN(CCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)C(C)(C)[C@H]1OC1=CC(Cl)=C(C=C1)C#N
C41H43ClN6O7
null
null
6-[1-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}ethyl)piperidin-4-yl]-N-[(1r,3r)-3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide
null
null
null
InChI=1S/C19H19N3O4S/c1-19(2)12-8-14-15(9-13(12)22-18(19)23)21-17(20-14)11-6-5-10(27(4,24)25)7-16(11)26-3/h5-9H,1-4H3,(H,20,21)(H,22,23)
AIZDWHAUMFEKHT-UHFFFAOYSA-N
CC1(C2=CC3=C(C=C2NC1=O)N=C(N3)C4=C(C=C(C=C4)S(=O)(=O)C)OC)C
C19H19N3O4S
COc1cc(S(C)(=O)=O)ccc1-c1nc2cc3c(cc2[nH]1)C(C)(C)C(=O)N3
2-(2-methoxy-4-methylsulfonylphenyl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
2-(4-methanesulfonyl-2-methoxyphenyl)-7,7-dimethyl-1H,5H,6H,7H-imidazo[4,5-f]indol-6-one
{"alternativeParents":["CHEMONTID:0002327","CHEMONTID:0004233","CHEMONTID:0001146","CHEMONTID:0004742","CHEMONTID:0000138","CHEMONTID:0004113","CHEMONTID:0000128","CHEMONTID:0000505","CHEMONTID:0004144","CHEMONTID:0001663","CHEMONTID:0000160","CHEMONTID:0004139","CHEMONTID:0001831","CHEMONTID:0003940","CHEMONTID:000027...
{"us":1}
null
InChI=1S/C24H22N5O9P.C6H15N/c30-21(14-7-3-1-4-8-14)27-24-26-20-19(22(31)28-24)25-13-29(20)18-11-16(17(37-18)12-36-39(33,34)35)38-23(32)15-9-5-2-6-10-15;1-4-7(5-2)6-3/h1-10,13,16-18H,11-12H2,(H2,33,34,35)(H2,26,27,28,30,31);4-6H2,1-3H3/t16-,17+,18+;/m0./s1
AIZFKWWQCBWDOQ-QQBJDQAASA-N
CCN(CC)CC.O[P](O)(=O)OC[C@H]1O[C@H](C[C@@H]1OC(=O)C1=CC=CC=C1)N1C=NC2=C1NC(NC(=O)C1=CC=CC=C1)=NC2=O
C30H37N6O9P
null
null
triethylamine; {[(2R,3S,5R)-5-(2-benzamido-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-(benzoyloxy)oxolan-2-yl]methoxy}phosphonic acid
null
null
null
InChI=1S/C18H12Cl2F2O2S/c19-14-5-4-11(10-2-1-3-12(6-10)17(21)22)7-13(14)18(20)15(23)8-25-9-16(18)24/h1-7,17H,8-9H2
AIZFPWZLPAOPGY-UHFFFAOYSA-N
FC(F)C1=CC=CC(=C1)C1=CC=C(Cl)C(=C1)C1(Cl)C(=O)CSCC1=O
C18H12Cl2F2O2S
null
null
4-chloro-4-[4-chloro-3'-(difluoromethyl)-[1,1'-biphenyl]-3-yl]thiane-3,5-dione
null
null
null
InChI=1S/C12H8F3N3O6S/c1-23-11(20)8-5-18(7-3-16-6-17-4-7)10(19)2-9(8)24-25(21,22)12(13,14)15/h2-6H,1H3
AIZMOYGOYUINTM-UHFFFAOYSA-N
COC(=O)C1=CN(C(=O)C=C1O[S](=O)(=O)C(F)(F)F)C1=CN=CN=C1
C12H8F3N3O6S
null
null
methyl 6-oxo-1-(pyrimidin-5-yl)-4-(trifluoromethanesulfonyloxy)-1,6-dihydropyridine-3-carboxylate
null
null
null
InChI=1S/C20H24F3N7O3S/c1-13-10-16(20(21,22)23)25-30(13)26-17(31)28-4-6-29(7-5-28)18-24-15(12-34-18)14-11-19(33-27-14)2-8-32-9-3-19/h10,12H,2-9,11H2,1H3,(H,26,31)
AIZMXJFDOIUKEL-UHFFFAOYSA-N
CC1=CC(=NN1NC(=O)N1CCN(CC1)C1=NC(=CS1)C1=NOC2(C1)CCOCC2)C(F)(F)F
C20H24F3N7O3S
null
null
4-(4-{1,8-dioxa-2-azaspiro[4.5]dec-2-en-3-yl}-1,3-thiazol-2-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]piperazine-1-carboxamide
null
null
null
InChI=1S/C29H32FN5O4/c1-18(2)34-10-12-35(13-11-34)29-32-17-21(28(36)33(29)3)19-6-7-25(22(30)14-19)39-24-8-9-31-23-16-27(38-5)26(37-4)15-20(23)24/h6-9,14-18H,10-13H2,1-5H3
AIZONZMLINWXCO-UHFFFAOYSA-N
CC(C)N1CCN(CC1)C2=NC=C(C(=O)N2C)C3=CC(=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OC)OC)F
C29H32FN5O4
CC(C)N1CCN(CC1)C2=NC=C(C(=O)N2C)C3=CC(=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OC)OC)F
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-one
5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methyl-2-[4-(propan-2-yl)piperazin-1-yl]-3,4-dihydropyrimidin-4-one
{"alternativeParents":["CHEMONTID:0003359","CHEMONTID:0002463","CHEMONTID:0001253","CHEMONTID:0004742","CHEMONTID:0000138","CHEMONTID:0003901","CHEMONTID:0000128","CHEMONTID:0000291","CHEMONTID:0001262","CHEMONTID:0003357","CHEMONTID:0001100","CHEMONTID:0000089","CHEMONTID:0001031","CHEMONTID:0002202","CHEMONTID:000414...
{"ca":2,"us":1}
null
InChI=1S/C20H10F8N2/c21-14-10-29-9-13(11-4-2-1-3-5-11)16(14)17(19(25,26)20(17,27)28)12-6-7-15(30-8-12)18(22,23)24/h1-10H
AIZREFIHQBKDNF-UHFFFAOYSA-N
FC1=C(C(=CN=C1)C1=CC=CC=C1)C1(C2=CN=C(C=C2)C(F)(F)F)C(F)(F)C1(F)F
C20H10F8N2
null
null
3-fluoro-5-phenyl-4-{2,2,3,3-tetrafluoro-1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}pyridine
null
null
null
InChI=1S/C15H9F2N5OS/c1-8-2-11(23-15-20-5-9(6-21-15)14(16)17)13(19-4-8)10-7-22-24-12(10)3-18/h2,4-7,14H,1H3
AIZXRDLACCECGI-UHFFFAOYSA-N
CC1=CC(OC2=NC=C(C=N2)C(F)F)=C(N=C1)C1=C(SN=C1)C#N
C15H9F2N5OS
null
null
4-(3-{[5-(difluoromethyl)pyrimidin-2-yl]oxy}-5-methylpyridin-2-yl)-1,2-thiazole-5-carbonitrile
null
null
null
InChI=1S/C14H25ClO2/c1-4-7-9-12(5-2)10-8-11-13(15)14(16)17-6-3/h8,10,12-13H,4-7,9,11H2,1-3H3
AIZXSRISKIGNRV-UHFFFAOYSA-N
CCCCC(CC)C=CCC(C(=O)OCC)Cl
C14H25ClO2
CCCCC(CC)C=CCC(C(=O)OCC)Cl
ethyl 2-chloro-6-ethyldec-4-enoate
ethyl 2-chloro-6-ethyldec-4-enoate
null
null
null
InChI=1S/C17H13F3N2O2.C8H14ClN5/c1-9-7-8-10-5-3-4-6-11(10)12(9)13-14(23)15(17(18,19)20)21-22(2)16(13)24;1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h3-8,23H,1-2H3;5H,4H2,1-3H3,(H2,10,11,12,13,14)
AJAFNWRFNUMWOA-UHFFFAOYSA-N
CCNC1=NC(NC(C)C)=NC(Cl)=N1.CN1N=C(C(O)=C(C1=O)C1=C(C)C=CC2=C1C=CC=C2)C(F)(F)F
C25H27ClF3N7O2
null
null
5-hydroxy-2-methyl-4-(2-methylnaphthalen-1-yl)-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one; 6-chloro-N2-ethyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
null
null
null
InChI=1S/C15H13F3N4O3S2/c1-19-12(23)22(13(24)20(2)14(19)26)9-4-10-11(3-8(9)18)27-15(25)21(10)7(5-16)6-17/h3-4,7H,5-6H2,1-2H3
AJANYZQCKRQBOH-UHFFFAOYSA-N
CN1C(=O)N(C(=O)N(C)C1=S)C1=C(F)C=C2SC(=O)N(C(CF)CF)C2=C1
C15H13F3N4O3S2
CN1C(=O)N(C(=O)N(C)C1=S)C1=C(F)C=C2SC(=O)N(C(CF)CF)C2=C1
null
3-[3-(1,3-difluoropropan-2-yl)-6-fluoro-2-oxo-2,3-dihydro-1,3-benzothiazol-5-yl]-1,5-dimethyl-6-sulfanylidene-1,3,5-triazinane-2,4-dione
null
null
null
InChI=1S/C24H72BF2N7Si11/c1-35(2,3)28-25(29(39(28,11)12)42(17,18)34-43(19,20)31(36(4,5)6)44(34,21)22)30-40(13,14)32(37(7,8)26)45(23,24)33(38(9,10)27)41(30,15)16/h1-24H3
AJAOKKVIYUARAZ-UHFFFAOYSA-N
C[Si](C)(C)N1B(N([Si](C)(C)N2[Si](C)(C)N([Si](C)(C)C)[Si]2(C)C)[Si]1(C)C)N1[Si](C)(C)N([Si](C)(C)F)[Si](C)(C)N([Si](C)(C)F)[Si]1(C)C
C24H72BF2N7Si11
C[Si](C)(C)N1B(N([Si](C)(C)N2[Si](C)(C)N([Si](C)(C)C)[Si]2(C)C)[Si]1(C)C)N1[Si](C)(C)N([Si](C)(C)F)[Si](C)(C)N([Si](C)(C)F)[Si]1(C)C
null
1-(1-{dimethyl[2,2,4,4-tetramethyl-3-(trimethylsilyl)-1,3,2,4-diazadisiletidin-1-yl]silyl}-2,2-dimethyl-3-(trimethylsilyl)-1,3,2,4-diazasilaboretidin-4-yl)-3,5-bis(fluorodimethylsilyl)-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinane
null
null
null
InChI=1S/C23H18ClFN2O/c1-2-3-5-17-7-12-21(22(25)14-17)23(15-18-6-4-13-26-16-18)27-28-20-10-8-19(24)9-11-20/h4,6-14,16H,2,15H2,1H3
AJAOQPQOIQDDBM-UHFFFAOYSA-N
CCC#CC1=CC(F)=C(C=C1)C(CC1=CN=CC=C1)=NOC1=CC=C(Cl)C=C1
C23H18ClFN2O
null
null
{1-[4-(but-1-yn-1-yl)-2-fluorophenyl]-2-(pyridin-3-yl)ethylidene}(4-chlorophenoxy)amine
null
null
null
InChI=1S/C22H22BrFN2O3/c1-3-7-15-8-5-9-16(22(27)28-4-2)17(15)14-29-20-12-13-26(25-20)21-18(23)10-6-11-19(21)24/h5-6,8-13H,3-4,7,14H2,1-2H3
AJAPRHUFFJRBPO-UHFFFAOYSA-N
CCCC1=CC=CC(C(=O)OCC)=C1COC1=NN(C=C1)C1=C(Br)C=CC=C1F
C22H22BrFN2O3
null
null
ethyl 2-({[1-(2-bromo-6-fluorophenyl)-1H-pyrazol-3-yl]oxy}methyl)-3-propylbenzoate
null
null
null
InChI=1S/C17H12Br2ClF3N4OS/c1-8(24-16(28)13-11(4-5-29-13)17(21,22)23)6-9-2-3-10(7-12(9)20)27-25-14(18)15(19)26-27/h2-5,7-8H,6H2,1H3,(H,24,28)
AJAPURDJXPSLJS-UHFFFAOYSA-N
CC(CC1=C(Cl)C=C(C=C1)N1N=C(Br)C(Br)=N1)NC(=O)C1=C(C=CS1)C(F)(F)F
C17H12Br2ClF3N4OS
null
null
N-{1-[2-chloro-4-(4,5-dibromo-2H-1,2,3-triazol-2-yl)phenyl]propan-2-yl}-3-(trifluoromethyl)thiophene-2-carboxamide
null
null
null
InChI=1S/C27H23ClN6O3/c1-3-5-24(34-37-15-18(2)33-35)20-7-9-25-22(12-20)27(31-17-30-25)32-21-8-10-26(23(28)13-21)36-16-19-6-4-11-29-14-19/h4,6-14,17,35H,15-16H2,1-2H3,(H,30,31,32)/b33-18+,34-24+
AJAQCQKWNACDJO-WCHOFESPSA-N
CC#C\C(=N/OC\C(C)=N\O)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CN=CC=C2)C=C1
C27H23ClN6O3
null
null
N-{3-chloro-4-[(pyridin-3-yl)methoxy]phenyl}-6-[(1Z)-1-{[(2E)-2-(hydroxyimino)propoxy]imino}but-2-yn-1-yl]quinazolin-4-amine
null
null
null
InChI=1S/C32H39N5O6/c1-5-42-30-25(11-12-27(34-30)36-15-13-35(14-16-36)22(2)38)33-29(39)24-21-43-26-19-32(3,4)37(31(40)28(24)26)17-18-41-20-23-9-7-6-8-10-23/h6-12,21H,5,13-20H2,1-4H3,(H,33,39)
AJARNOLUBKLHMF-UHFFFAOYSA-N
CCOC1=C(NC(=O)C2=COC3=C2C(=O)N(CCOCC2=CC=CC=C2)C(C)(C)C3)C=CC(=N1)N1CCN(CC1)C(C)=O
C32H39N5O6
CCOC1=C(C=CC(=N1)N2CCN(CC2)C(=O)C)NC(=O)C3=COC4=C3C(=O)N(C(C4)(C)C)CCOCC5=CC=CC=C5
N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl]-6,6-dimethyl-4-oxo-5-(2-phenylmethoxyethyl)-7H-furo[3,2-c]pyridine-3-carboxamide
N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl]-5-[2-(benzyloxy)ethyl]-6,6-dimethyl-4-oxo-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carboxamide
null
{"us":1,"wo":1}
null
InChI=1S/C50H29BN6/c1-24-8-12-41-33(14-24)35-16-26(3)18-37-49(35)56(41)43-20-28(29-10-11-32-45-30(29)6-5-7-31(45)47-48(32)55-40(23-53)39(22-52)54-47)21-44-46(43)51(37)38-19-27(4)17-36-34-15-25(2)9-13-42(34)57(44)50(36)38/h5-21H,1-4H3
AJAVNLFZVMSKHO-UHFFFAOYSA-N
CC1=CC=C2N3C4=C(C=C(C)C=C4B4C5=CC(C)=CC6=C5N(C5=CC=C(C)C=C65)C5=C4C3=CC(=C5)C3=C4C=CC=C5C6=NC(C#N)=C(N=C6C(C=C3)=C45)C#N)C2=C1
C50H29BN6
CC1=CC=C2N3C4=C(C=C(C)C=C4B4C5=CC(C)=CC6=C5N(C5=CC=C(C)C=C65)C5=C4C3=CC(=C5)C3=C4C=CC=C5C6=NC(C#N)=C(N=C6C(C=C3)=C45)C#N)C2=C1
null
3-{4,9,23,28-tetramethyl-13,19-diaza-1-boranonacyclo[16.12.1.1²,⁶.1¹⁹,²⁶.0⁷,¹².0¹⁴,³¹.0²⁰,²⁵.0¹³,³³.0³⁰,³²]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaen-16-yl}acenaphthyleno[1,2-b]pyrazine-8,9-dicarbonitrile
null
null
null
InChI=1S/C57H91N17O19/c1-28(2)20-34(68-48(84)33(14-15-43(78)79)67-52(88)40-12-8-18-73(40)54(90)41-13-9-19-74(41)55(91)45(58)30(5)76)49(85)69-35(21-29(3)4)50(86)70-36(22-31-24-61-27-64-31)46(82)63-25-42(77)65-37(23-44(80)81)53(89)72-17-7-11-39(72)51(87)66-32(10-6-16-62-57(59)60)47(83)71-38(26-75)56(92)93/h24,27-30,32-41...
AJAXDXYZWJSMMP-YLPFYZNCSA-N
CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(O)=O
C57H91N17O19
null
null
(4S)-4-{[(2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-3-carboxy-1-oxopropan-2-yl]carbamoyl}methyl)carbamoyl]-2-(1H-...
null
null
null
InChI=1S/C151H242N46O42/c1-15-81(14)122(192-140(229)108-35-26-60-197(108)148(237)103(66-84-70-165-74-171-84)188-126(215)87(28-16-18-52-152)177-136(225)105-32-23-57-194(105)145(234)86(154)27-20-54-166-150(160)161)144(233)179-88(29-17-19-53-153)125(214)183-99(65-83-69-164-73-170-83)133(222)173-89(40-46-109(155)199)123(21...
AJAZPNXTTAYXST-SBCBZRSVSA-N
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]...
C151H242N46O42
null
null
(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}hexanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-...
null
null
null
InChI=1S/C29H40Cl2N4O4S/c1-33-15-17-35(18-16-33)28(22-7-4-3-5-8-22)23-11-13-24(14-12-23)32-27(36)21-39-20-19-34(2)40(37,38)29-25(30)9-6-10-26(29)31/h3-10,23-24,28H,11-21H2,1-2H3,(H,32,36)
AJBDPZBRKQLNBD-UHFFFAOYSA-N
CN(CCOCC(=O)NC1CCC(CC1)C(N1CCN(C)CC1)C1=CC=CC=C1)[S](=O)(=O)C1=C(Cl)C=CC=C1Cl
C29H40Cl2N4O4S
CN1CCN(CC1)C(C2CCC(CC2)NC(=O)COCCN(C)S(=O)(=O)C3=C(C=CC=C3Cl)Cl)C4=CC=CC=C4
2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]cyclohexyl]acetamide
2-[2-(N-methyl2,6-dichlorobenzenesulfonamido)ethoxy]-N-{4-[(4-methylpiperazin-1-yl)(phenyl)methyl]cyclohexyl}acetamide
{"alternativeParents":["CHEMONTID:0004233","CHEMONTID:0002564","CHEMONTID:0003358","CHEMONTID:0003899","CHEMONTID:0001585","CHEMONTID:0001030","CHEMONTID:0003137","CHEMONTID:0002239","CHEMONTID:0001663","CHEMONTID:0000347","CHEMONTID:0001167","CHEMONTID:0004139","CHEMONTID:0001516","CHEMONTID:0004150","CHEMONTID:000394...
{"ca":1,"jp":1,"us":1,"wo":1}
null
InChI=1S/C19H11BrF2N6O/c20-14-2-1-4-25-18(14)19(29)26-5-3-11-6-13(10-24)15(7-12(11)9-23)28-17(22)8-16(21)27-28/h1-2,4,6-8H,3,5H2,(H,26,29)
AJBDXISRAIHZES-UHFFFAOYSA-N
FC1=NN(C(F)=C1)C1=C(C=C(CCNC(=O)C2=C(Br)C=CC=N2)C(=C1)C#N)C#N
C19H11BrF2N6O
null
null
3-bromo-N-{2-[2,5-dicyano-4-(3,5-difluoro-1H-pyrazol-1-yl)phenyl]ethyl}pyridine-2-carboxamide
null
null
null
InChI=1S/C17H17N3O3S/c18-24(22,23)14-5-3-4-13(10-14)20-17(21)9-8-12-11-19-16-7-2-1-6-15(12)16/h1-7,10-11,19H,8-9H2,(H,20,21)(H2,18,22,23)
AJBHDQASYKWSCR-UHFFFAOYSA-N
C1=CC=C2C(=C1)C(=CN2)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N
C17H17N3O3S
C1=CC=C2C(=C1)C(=CN2)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
{"alternativeParents":["CHEMONTID:0000031","CHEMONTID:0004196","CHEMONTID:0004233","CHEMONTID:0000285","CHEMONTID:0003282","CHEMONTID:0002257","CHEMONTID:0001585","CHEMONTID:0000331","CHEMONTID:0004144","CHEMONTID:0003137","CHEMONTID:0001663","CHEMONTID:0004139","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:000183...
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null