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chemical-structure

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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/C20H16F7NO3/c1-31-18(30)16(7-12-5-3-2-4-6-12)28(11-21)17(29)13-8-14(19(22,23)24)10-15(9-13)20(25,26)27/h2-6,8-10,16H,7,11H2,1H3/t16-/m0/s1
APUFSYDXIRRPLV-INIZCTEOSA-N
COC(=O)[C@H](CC1=CC=CC=C1)N(CF)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
C20H16F7NO3
COC(=O)C(CC1=CC=CC=C1)N(CF)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
methyl (2S)-2-[[3,5-bis(trifluoromethyl)benzoyl]-(fluoromethyl)amino]-3-phenylpropanoate
methyl (2S)-2-{1-[3,5-bis(trifluoromethyl)phenyl]-N-(fluoromethyl)formamido}-3-phenylpropanoate
null
null
null
InChI=1S/C30H34F3N3O4/c1-5-35-29(37)36-12-10-20-16-26(39-4)27(40-13-11-19-6-9-24(34)25(15-19)38-3)17-23(20)28(36)22-8-7-21(14-18(22)2)30(31,32)33/h6-9,14-17,28H,5,10-13,34H2,1-4H3,(H,35,37)
APUFTEYGKHZGPB-UHFFFAOYSA-N
CCNC(=O)N1CCC2=CC(=C(C=C2C1C3=C(C=C(C=C3)C(F)(F)F)C)OCCC4=CC(=C(C=C4)N)OC)OC
C30H34F3N3O4
CCNC(=O)N1CCC2=CC(=C(C=C2C1C3=C(C=C(C=C3)C(F)(F)F)C)OCCC4=CC(=C(C=C4)N)OC)OC
7-[2-(4-amino-3-methoxyphenyl)ethoxy]-N-ethyl-6-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
7-[2-(4-amino-3-methoxyphenyl)ethoxy]-N-ethyl-6-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
null
null
null
InChI=1S/C21H13BrF5IN4O4/c1-31-20(33)32(30-29-31)15-4-2-3-14(28)11(15)9-34-16-6-5-10(7-13(16)22)17-8-12(21(25,26)27)18(35-17)36-19(23)24/h2-8,19H,9H2,1H3
APUONTMBHWFIEX-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(COC2=C(Br)C=C(C=C2)C2=CC(=C(OC(F)F)O2)C(F)(F)F)C(I)=CC=C1
C21H13BrF5IN4O4
null
null
1-[2-({2-bromo-4-[5-(difluoromethoxy)-4-(trifluoromethyl)furan-2-yl]phenoxy}methyl)-3-iodophenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C20H11N3O/c21-13-20-16(9-10-17-11-12-18(14-24)23-22-17)7-4-8-19(20)15-5-2-1-3-6-15/h1-8,11-12,14H
APUVMQOGQYDTJC-UHFFFAOYSA-N
C1=CC=C(C=C1)C2=CC=CC(=C2C#N)C#CC3=NN=C(C=C3)C=O
C20H11N3O
C1=CC=C(C=C1)C2=CC=CC(=C2C#N)C#CC3=NN=C(C=C3)C=O
2-[2-(6-formylpyridazin-3-yl)ethynyl]-6-phenylbenzonitrile
3-[2-(6-formylpyridazin-3-yl)ethynyl]-[1,1'-biphenyl]-2-carbonitrile
null
null
null
InChI=1S/C17H15N5O/c18-13-7-5-12(6-8-13)17(23)21-10-9-16-20-19-11-22(16)15-4-2-1-3-14(15)21/h1-8,11H,9-10,18H2
APVBONGDMLKBJR-UHFFFAOYSA-N
NC1=CC=C(C=C1)C(=O)N1CCC2=NN=CN2C2=CC=CC=C12
C17H15N5O
null
null
4-{2,4,5,9-tetraazatricyclo[8.4.0.0²,⁶]tetradeca-1(14),3,5,10,12-pentaene-9-carbonyl}aniline
null
null
null
InChI=1S/C22H26N8O2/c1-27-11-15-9-24-18-4-3-17(14-10-25-28(2)12-14)26-20(18)21(15)30(22(27)32)16-5-7-29(8-6-16)13-19(23)31/h3-4,9-10,12,16H,5-8,11,13H2,1-2H3,(H2,23,31)
APVBPXPCSLAIEN-UHFFFAOYSA-N
CN1CC2=CN=C3C=CC(=NC3=C2N(C1=O)C4CCN(CC4)CC(=O)N)C5=CN(N=C5)C
C22H26N8O2
CN1CC2=CN=C3C=CC(=NC3=C2N(C1=O)C4CCN(CC4)CC(=O)N)C5=CN(N=C5)C
2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide
2-{4-[3-methyl-9-(1-methyl-1H-pyrazol-4-yl)-2-oxo-1H,2H,3H,4H-pyrimido[5,4-c]1,5-naphthyridin-1-yl]piperidin-1-yl}acetamide
{"intermediateNodes":["CHEMONTID:0000347","CHEMONTID:0000060"],"alternativeParents":["CHEMONTID:0002006","CHEMONTID:0001857","CHEMONTID:0000291","CHEMONTID:0000195","CHEMONTID:0000087","CHEMONTID:0004144","CHEMONTID:0000517","CHEMONTID:0002239","CHEMONTID:0001662","CHEMONTID:0004139","CHEMONTID:0003940","CHEMONTID:0004...
{"wo":1,"ep":1,"us":1}
null
InChI=1S/C26H22N6O4S/c27-14-17-3-1-4-18(11-17)15-32-16-19(12-20-23(33)29-26(37)28-20)13-21(32)24(34)30-6-8-31(9-7-30)25(35)22-5-2-10-36-22/h1-5,10-13,16H,6-9,15H2,(H2,28,29,33,37)
APVFGUMGEMJCDQ-UHFFFAOYSA-N
O=C(N1CCN(CC1)C(=O)C1=CC(C=C2NC(=S)NC2=O)=CN1CC1=CC(=CC=C1)C#N)C1=CC=CO1
C26H22N6O4S
O=C(N1CCN(CC1)C(=O)C1=CC(C=C2NC(=S)NC2=O)=CN1CC1=CC(=CC=C1)C#N)C1=CC=CO1
null
3-({2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyrrol-1-yl}methyl)benzonitrile
null
null
null
InChI=1S/C45H67N11O17/c1-23(58)36(54-38(65)27(14-15-34(60)61)49-37(64)26(11-5-6-16-46)50-40(67)31-12-7-17-55(31)43(70)25(47)22-57)42(69)52-29(21-35(62)63)44(71)56-18-8-13-32(56)41(68)51-28(20-33(48)59)39(66)53-30(45(72)73)19-24-9-3-2-4-10-24/h2-4,9-10,23,25-32,36,57-58H,5-8,11-22,46-47H2,1H3,(H2,48,59)(H,49,64)(H,50,67...
APVMCYWRTRROTI-HFGLIBDLSA-N
C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
C45H67N11O17
null
null
(4S)-4-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}hexanamido]-4-{[(1S,2R)-1-{[(2S)-1-[(2S)-2-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-3-carboxy-1-oxopropan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
null
null
null
InChI=1S/C22H18Cl2F2O3/c1-3-29-20(28)22(25,26)14-21(2,19(27)16-7-5-4-6-8-16)12-11-15-9-10-17(23)18(24)13-15/h4-10,13H,3,14H2,1-2H3
APVROUZGVVXIEN-UHFFFAOYSA-N
CCOC(=O)C(F)(F)CC(C)(C#CC1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC=CC=C1
C22H18Cl2F2O3
null
null
ethyl 4-benzoyl-6-(3,4-dichlorophenyl)-2,2-difluoro-4-methylhex-5-ynoate
null
null
null
InChI=1S/C57H36N2/c1-3-17-37(18-4-1)40-33-34-45(54-36-53(39-20-5-2-6-21-39)58-56(59-54)48-29-15-22-38-19-7-8-23-41(38)48)49(35-40)47-28-16-27-46-44-26-11-14-32-52(44)57(55(46)47)50-30-12-9-24-42(50)43-25-10-13-31-51(43)57/h1-36H
APVRTANJOUMKEN-UHFFFAOYSA-N
C1=CC=C(C=C1)C1=CC(C2=C3C(=CC=C2)C2=CC=CC=C2C32C3=CC=CC=C3C3=CC=CC=C23)=C(C=C1)C1=NC(=NC(=C1)C1=CC=CC=C1)C1=CC=CC2=C1C=CC=C2
C57H36N2
C1=CC=C(C=C1)C1=CC(C2=C3C(=CC=C2)C2=CC=CC=C2C32C3=CC=CC=C3C3=CC=CC=C23)=C(C=C1)C1=NC(=NC(=C1)C1=CC=CC=C1)C1=CC=CC2=C1C=CC=C2
null
2-(naphthalen-1-yl)-4-phenyl-6-(3-{9,9'-spirobi[fluoren]-1-yl}-[1,1'-biphenyl]-4-yl)pyrimidine
null
null
null
InChI=1S/C16H13ClFN3O3S/c1-2-10-4-3-5-13(15(10)18)25(23,24)20-16(22)12-9-21-8-11(17)6-7-14(21)19-12/h3-9H,2H2,1H3,(H,20,22)
APVTVTRGMUBNGH-UHFFFAOYSA-N
CCC1=CC=CC(=C1F)[S](=O)(=O)NC(=O)C1=CN2C=C(Cl)C=CC2=N1
C16H13ClFN3O3S
null
null
6-chloro-N-(3-ethyl-2-fluorobenzenesulfonyl)imidazo[1,2-a]pyridine-2-carboxamide
null
null
null
InChI=1S/C31H30N8O5/c1-36(27(40)19-37-13-15-44-16-14-37)20-6-9-26(34-18-20)38-12-10-22-28(24-5-3-4-11-33-24)35-39(29(22)31(38)42)25-8-7-21(43-2)17-23(25)30(32)41/h3-12,17-18H,13-16,19H2,1-2H3,(H2,32,41)
APVUWKDAICUPMS-UHFFFAOYSA-N
COC1=CC(C(N)=O)=C(C=C1)N1N=C(C2=C1C(=O)N(C=C2)C1=CC=C(C=N1)N(C)C(=O)CN1CCOCC1)C1=CC=CC=N1
C31H30N8O5
null
null
5-methoxy-2-(6-{5-[N-methyl-2-(morpholin-4-yl)acetamido]pyridin-2-yl}-7-oxo-3-(pyridin-2-yl)-1H,6H,7H-pyrazolo[3,4-c]pyridin-1-yl)benzamide
null
null
null
InChI=1S/C22H24Cl2N6O2S/c1-33-20-12-19(30(28-20)14-2-4-16(23)15(10-14)21(25)26)22(31)27-18-5-3-13(11-17(18)24)29-6-8-32-9-7-29/h2-5,10-11,19H,6-9,12H2,1H3,(H3,25,26)(H,27,31)
APVZFTWEXZIVNH-UHFFFAOYSA-N
CSC1=NN(C(C1)C(=O)NC1=C(Cl)C=C(C=C1)N1CCOCC1)C1=CC(C(N)=N)=C(Cl)C=C1
C22H24Cl2N6O2S
null
null
1-(3-carbamimidoyl-4-chlorophenyl)-N-[2-chloro-4-(morpholin-4-yl)phenyl]-3-(methylsulfanyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
null
null
null
InChI=1S/C47H54N10O2/c1-5-55(6-2)42(36-13-8-7-9-14-36)46(59)57-28-11-16-40(57)44-51-30-38(53-44)35-23-19-33(20-24-35)32-17-21-34(22-18-32)37-29-50-43(52-37)39-15-10-27-56(39)45(58)41(31(3)4)54-47-48-25-12-26-49-47/h7-9,12-14,17-26,29-31,39-42H,5-6,10-11,15-16,27-28H2,1-4H3,(H,50,52)(H,51,53)(H,48,49,54)/t39-,40-,41+,42...
APWANQIPIJDPCM-ATUXXYJQSA-N
CCN(CC)[C@H](C1=CC=CC=C1)C(=O)N2CCC[C@H]2C3=NC=C(N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CN=C(N6)[C@@H]7CCCN7C(=O)[C@@H](C(C)C)NC8=NC=CC=N8
C47H54N10O2
CCN(CC)C(C1=CC=CC=C1)C(=O)N2CCCC2C3=NC=C(N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CN=C(N6)C7CCCN7C(=O)C(C(C)C)NC8=NC=CC=N8
(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-2-(pyrimidin-2-ylamino)butan-1-one
(2R)-1-[(2S)-2-[5-(4'-{2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-2-[(pyrimidin-2-yl)amino]butan-1-one
{"intermediateNodes":["CHEMONTID:0000347","CHEMONTID:0000060"],"alternativeParents":["CHEMONTID:0000041","CHEMONTID:0002309","CHEMONTID:0002327","CHEMONTID:0002363","CHEMONTID:0003023","CHEMONTID:0002458","CHEMONTID:0003899","CHEMONTID:0001262","CHEMONTID:0001664","CHEMONTID:0004144","CHEMONTID:0002239","CHEMONTID:0004...
{"jp":3,"wo":2,"ep":3,"ca":1,"us":7}
null
InChI=1S/C15H15N3O3/c1-2-21-15(20)12-9-17-13(10-5-6-10)18(14(12)19)11-4-3-7-16-8-11/h3-4,7-10H,2,5-6H2,1H3
APWBXALCMZKMNE-UHFFFAOYSA-N
CCOC(=O)C1=CN=C(C2CC2)N(C2=CN=CC=C2)C1=O
C15H15N3O3
null
null
ethyl 2-cyclopropyl-6-oxo-1-(pyridin-3-yl)-1,6-dihydropyrimidine-5-carboxylate
null
null
null
InChI=1S/C17H16F5N9O4/c1-9-5-4-6-11(31-16(32)29(2)27-28-31)10(9)7-34-15(33-3)25-24-14(35-13(18)19)30-8-23-12(26-30)17(20,21)22/h4-6,8,13H,7H2,1-3H3
APWCCWKHWSLFLU-UHFFFAOYSA-N
COC(OCC1=C(C=CC=C1C)N1N=NN(C)C1=O)=NN=C(OC(F)F)N1C=NC(=N1)C(F)(F)F
C17H16F5N9O4
null
null
1-(2-{[({[(difluoromethoxy)[3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl]methylidene]amino}imino)(methoxy)methoxy]methyl}-3-methylphenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C54H35N3/c1-2-19-38(20-3-1)55-50-32-13-8-25-45(50)53-40(26-15-33-51(53)55)37-18-14-17-36(35-37)39-21-4-9-28-46(39)57-49-31-12-7-24-43(49)44-27-16-34-52(54(44)57)56-47-29-10-5-22-41(47)42-23-6-11-30-48(42)56/h1-35H
APWGGPQPRSRDEI-UHFFFAOYSA-N
C1=CC=C(C=C1)N1C2=CC=CC=C2C2=C(C=CC=C12)C1=CC=CC(=C1)C1=C(C=CC=C1)N1C2=CC=CC=C2C2=CC=CC(N3C4=CC=CC=C4C4=CC=CC=C34)=C12
C54H35N3
C1=CC=C(C=C1)N1C2=CC=CC=C2C2=C(C=CC=C12)C1=CC=CC(=C1)C1=C(C=CC=C1)N1C2=CC=CC=C2C2=CC=CC(N3C4=CC=CC=C4C4=CC=CC=C34)=C12
null
9-[3'-(9-phenyl-9H-carbazol-4-yl)-[1,1'-biphenyl]-2-yl]-9H-1,9'-bicarbazole
null
null
null
InChI=1S/C19H25F3N4O4S/c1-4-6-7-8-11-31(27,28)30-26-16(23-5-2)14-9-10-15(13(3)12-14)17-24-18(29-25-17)19(20,21)22/h9-10,12H,4-8,11H2,1-3H3,(H,23,26)
APWHCSGRAJHLGN-UHFFFAOYSA-N
CCCCCC[S](=O)(=O)ON=C(NCC)C1=CC(C)=C(C=C1)C1=NOC(=N1)C(F)(F)F
C19H25F3N4O4S
null
null
[(ethylamino)({3-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl})methylidene]amino hexane-1-sulfonate
null
null
null
InChI=1S/C11H9NOS2/c1-2-6-13-11-8(4-1)12-10(15-11)9-5-3-7-14-9/h1-3,5,7H,4,6H2
APWHEJALCVFILE-UHFFFAOYSA-N
C1OC2=C(CC=C1)N=C(S2)C1=CC=CS1
C11H9NOS2
null
null
2-(thiophen-2-yl)-5H,8H-oxepino[3,2-d][1,3]thiazole
null
null
null
InChI=1S/C9H8N2O2/c1-11-8-6(5-10-11)3-2-4-7(8)9(12)13/h2-5H,1H3,(H,12,13)
APWKGIDYINRPKW-UHFFFAOYSA-N
CN1C2=C(C=CC=C2C(=O)O)C=N1
C9H8N2O2
CN1C2=C(C=CC=C2C(=O)O)C=N1
1-methylindazole-7-carboxylic acid
null
{"intermediateNodes":[],"alternativeParents":["CHEMONTID:0002448","CHEMONTID:0003890","CHEMONTID:0000087","CHEMONTID:0004144","CHEMONTID:0001205","CHEMONTID:0004139","CHEMONTID:0000323","CHEMONTID:0000278","CHEMONTID:0003940","CHEMONTID:0004150"],"substituents":["Benzopyrazole","Indazole","Benzenoid","Azole","Pyrazole"...
{"tw":1,"wo":4,"ep":1,"ca":1,"us":5}
null
InChI=1S/C21H16ClF3N8O5S2/c1-4-39(35,36)19-14(29-20-27-12(22)6-8-33(19)20)13-18(34)32(3)17-15(28-13)30-16(31(17)2)11-9-10(5-7-26-11)40(37,38)21(23,24)25/h5-9H,4H2,1-3H3
APWKJMSWYUASTI-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=C2N=C(Cl)C=CN12)C1=NC2=C(N(C)C(=N2)C2=CC(=CC=N2)[S](=O)(=O)C(F)(F)F)N(C)C1=O
C21H16ClF3N8O5S2
null
null
5-[7-chloro-3-(ethanesulfonyl)imidazo[1,2-a]pyrimidin-2-yl]-1,7-dimethyl-2-(4-trifluoromethanesulfonylpyridin-2-yl)-1H,6H,7H-imidazo[4,5-b]pyrazin-6-one
null
null
null
InChI=1S/C41H32O9/c1-27(28-16-6-2-7-17-28)32-24-14-15-25-33(32)40(45)50-41-36(49-39(44)31-22-12-5-13-23-31)35(48-38(43)30-20-10-4-11-21-30)34(26-46-41)47-37(42)29-18-8-3-9-19-29/h2-25,34-36,41H,1,26H2/t34-,35+,36-,41-/m1/s1
APWMWVWDJBKMEK-IBHRRMRLSA-N
C=C(C1=CC=CC=C1)C1=C(C=CC=C1)C(=O)O[C@H]1OC[C@@H](OC(=O)C2=CC=CC=C2)[C@H](OC(=O)C2=CC=CC=C2)[C@H]1OC(=O)C1=CC=CC=C1
C41H32O9
null
null
(2R,3R,4S,5R)-3,4,5-tris(benzoyloxy)oxan-2-yl 2-(1-phenylethenyl)benzoate
null
null
null
InChI=1S/C37H24O/c1-37(2)29-16-6-5-13-26(29)34-30(37)18-17-25-24-14-7-11-21-12-8-15-27(32(21)24)33-28-19-22-9-3-4-10-23(22)20-31(28)38-36(33)35(25)34/h3-20H,1-2H3
APWNTKNGSPRSJJ-UHFFFAOYSA-N
CC1(C)C2=CC=CC=C2C2=C1C=CC1=C2C2=C(C3=CC4=CC=CC=C4C=C3O2)C2=CC=CC3=C2C1=CC=C3
C37H24O
null
null
23,23-dimethyl-13-oxanonacyclo[26.7.1.0²,¹⁴.0³,¹².0⁵,¹⁰.0¹⁵,²⁷.0¹⁶,²⁴.0¹⁷,²².0³²,³⁶]hexatriaconta-1(35),2(14),3,5,7,9,11,15(27),16(24),17,19,21,25,28,30,32(36),33-heptadecaene
null
null
null
InChI=1S/C20H19FN6O2/c1-3-29-19-18(24-27(25-19)16-9-5-8-15(21)10-16)20(28)26(2)12-14-7-4-6-13-11-22-23-17(13)14/h4-11H,3,12H2,1-2H3,(H,22,23)
APWODACNYXEXFC-UHFFFAOYSA-N
CCOC1=NN(N=C1C(=O)N(C)CC2=CC=CC3=C2NN=C3)C4=CC(=CC=C4)F
C20H19FN6O2
CCOC1=NN(N=C1C(=O)N(C)CC2=CC=CC3=C2NN=C3)C4=CC(=CC=C4)F
5-ethoxy-2-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyltriazole-4-carboxamide
5-ethoxy-2-(3-fluorophenyl)-N-[(1H-indazol-7-yl)methyl]-N-methyl-2H-1,2,3-triazole-4-carboxamide
null
null
null
InChI=1S/C24H25ClF2N6O4/c1-6-15-14(3)32(28-22(15)35-5)19-10-13(2)21(11-17(19)25)36-12-16-18(33-24(34)31(4)29-30-33)8-7-9-20(16)37-23(26)27/h7-11,23H,6,12H2,1-5H3
APWOMJCMUZLZDP-UHFFFAOYSA-N
CCC1=C(C)N(N=C1OC)C1=CC(C)=C(OCC2=C(C=CC=C2OC(F)F)N2N=NN(C)C2=O)C=C1Cl
C24H25ClF2N6O4
null
null
1-(2-{[5-chloro-4-(4-ethyl-3-methoxy-5-methyl-1H-pyrazol-1-yl)-2-methylphenoxy]methyl}-3-(difluoromethoxy)phenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C17H33N2Si2.C7H7.Ti/c1-16(2,3)18-20(7,8)14-11-12-15(13-14)21(9,10)19-17(4,5)6;1-7-5-3-2-4-6-7;/h11-13H,1-10H3;2-6H,1H2;/q-3;-1;+4
APWQRRPMWOIQKH-UHFFFAOYSA-N
[N-]1([Ti+4]23456([CH2-]C7=CC=CC=C7)[N-]([Si](C)(C)[C]22=[CH]3[C-]4([Si]1(C)C)[CH]5=[CH]62)C(C)(C)C)C(C)(C)C |c:5,7,25,t:3,(2.46,5.85,;10.69,5.85,;10.69,3.02,;9.46,2.31,;8.13,3.08,;6.79,2.31,;6.79,.77,;8.13,,;9.46,.77,;15.87,3.73,;15.87,9.23,;17.2,9.99,;15.87,11.32,;11.75,9.23,;9.67,9.23,;7.88,10.26,;2.46,8.6,;.64,9.64...
C24H40N2Si2Ti
[N-]1([Ti+4]23456([CH2-]C7=CC=CC=C7)[N-]([Si](C)(C)[C]22=[CH]3[C-]4([Si]1(C)C)[CH]5=[CH]62)C(C)(C)C)C(C)(C)C
null
null
null
null
null
InChI=1S/C81H126N22O24/c1-12-40(6)63(78(123)99-56(34-59(85)108)72(117)96-57(35-60(109)110)75(120)103-65(45(11)105)80(125)98-54(32-48-36-87-37-88-48)70(115)90-43(9)67(112)93-51(81(126)127)23-17-19-29-83)101-74(119)53(31-47-24-26-49(106)27-25-47)97-77(122)62(39(4)5)100-73(118)52(30-46-20-14-13-15-21-46)95-71(116)55(33-58...
APWUTDDWTBPLOE-KEPZJTQDSA-N
CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC...
C81H126N22O24
null
null
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-methylbutanamido]hexanamido]-3-hydroxybutanamido]propanamido]propanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)pr...
null
null
null
InChI=1S/C24H24ClN7O4S/c1-4-30-20(36-15-24(14-26)8-9-24)6-5-18(22(30)33)21-23(37(34,35)29(2)3)31-10-7-17(11-19(31)28-21)32-13-16(25)12-27-32/h5-7,10-13H,4,8-9,15H2,1-3H3
APWZPQGUFYEZIB-UHFFFAOYSA-N
CCN1C(OCC2(CC2)C#N)=CC=C(C2=C(N3C=CC(=CC3=N2)N2C=C(Cl)C=N2)[S](=O)(=O)N(C)C)C1=O
C24H24ClN7O4S
null
null
7-(4-chloro-1H-pyrazol-1-yl)-2-{6-[(1-cyanocyclopropyl)methoxy]-1-ethyl-2-oxo-1,2-dihydropyridin-3-yl}-N,N-dimethylimidazo[1,2-a]pyridine-3-sulfonamide
null
null
null
InChI=1S/C19H20N2O2/c1-14(22)19-20-11-12-21(19)13-18(23)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,14,18,22-23H,13H2,1H3
APXAYEYSCLUJMA-UHFFFAOYSA-N
CC(C1=NC=CN1CC(C2=CC=C(C=C2)C3=CC=CC=C3)O)O
C19H20N2O2
CC(C1=NC=CN1CC(C2=CC=C(C=C2)C3=CC=CC=C3)O)O
2-[2-(1-hydroxyethyl)imidazol-1-yl]-1-(4-phenylphenyl)ethanol
1-{[1,1'-biphenyl]-4-yl}-2-[2-(1-hydroxyethyl)-1H-imidazol-1-yl]ethan-1-ol
null
null
null
InChI=1S/2C14H14P.C6H6Se.2Au.Cl/c2*1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;7-6-4-2-1-3-5-6;;;/h2*3-12H,1-2H2;1-5,7H;;;/q2*-1;;2*+2;-1/p-1
APXCBWFHVQYUPN-UHFFFAOYSA-M
[Cl-][Au++]12[CH2-][P+]([CH2-][Au++]1([CH2-][P+]([CH2-]2)(C1=CC=CC=C1)C1=CC=CC=C1)[Se-]C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C34H33Au2ClP2Se
null
null
[2,2,6,6-tetraphenyl-8-(phenyl-λ³-selanidyl)-octahydro-2λ⁵,6λ⁵--1λ⁵-phospha-3,4-diauracyclopenta[3,4-c]1λ⁵-phospha-3,4-diauracyclopentane-2,4,4,6,8,8-hexakis(ylium)-1,3,5,7-tetrauid-4-yl]-λ³-chloranidyl
null
null
null
InChI=1S/C55H65N11O16/c1-30(68)47(55(81)82)66-45(71)27-58-49(75)39(22-33-12-16-36(69)17-13-33)61-50(76)42(23-34-14-18-37(70)19-15-34)62-51(77)40(20-31-8-4-2-5-9-31)64-54(80)44(25-46(72)73)65-52(78)41(21-32-10-6-3-7-11-32)63-53(79)43(24-35-26-57-29-59-35)60-48(74)38(56)28-67/h2-19,26,29-30,38-44,47,67-70H,20-25,27-28,56...
APXDNBGTVIQRJM-PBCQWWIPSA-N
C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CO)C(O)=O
C55H65N11O16
null
null
(2S,3R)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-5-yl)propanamido]-3-phenylpropanamido]-3-carboxypropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-hydroxybutanoic acid
null
null
null
InChI=1S/C17H11F2N3/c1-11-16(12-4-2-6-14(18)8-12)22(10-21-11)17-13(9-20)5-3-7-15(17)19/h2-8,10H,1H3
APXFLYJGUUIKOT-UHFFFAOYSA-N
CC1=C(N(C=N1)C1=C(C=CC=C1F)C#N)C1=CC(F)=CC=C1
C17H11F2N3
null
null
3-fluoro-2-[5-(3-fluorophenyl)-4-methyl-1H-imidazol-1-yl]benzonitrile
null
null
null
InChI=1S/C23H13F3N6O3/c24-23(25,26)14-8-15(11-28-10-14)31-12-20(33)32(22(31)34)18-2-1-16(7-13(18)9-27)35-19-4-6-30-21-17(19)3-5-29-21/h1-8,10-11H,12H2,(H,29,30)
APXMVZGHGVEWRP-UHFFFAOYSA-N
C1C(=O)N(C(=O)N1C2=CN=CC(=C2)C(F)(F)F)C3=C(C=C(C=C3)OC4=C5C=CNC5=NC=C4)C#N
C23H13F3N6O3
C1C(=O)N(C(=O)N1C2=CN=CC(=C2)C(F)(F)F)C3=C(C=C(C=C3)OC4=C5C=CNC5=NC=C4)C#N
2-[2,5-dioxo-3-[5-(trifluoromethyl)pyridin-3-yl]imidazolidin-1-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzonitrile
2-{2,5-dioxo-3-[5-(trifluoromethyl)pyridin-3-yl]imidazolidin-1-yl}-5-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}benzonitrile
null
null
null
InChI=1S/C25H27FN6O2/c1-5-9-22-24(26)27-16-31(22)19-12-13-23(18(7-3)14-19)34-15-20-17(6-2)10-8-11-21(20)32-25(33)30(4)28-29-32/h6,8,10-14,16H,2,5,7,9,15H2,1,3-4H3
APXOOONIJUXTNI-UHFFFAOYSA-N
CCCC1=C(F)N=CN1C1=CC(CC)=C(OCC2=C(C=CC=C2C=C)N2N=NN(C)C2=O)C=C1
C25H27FN6O2
null
null
1-(3-ethenyl-2-{[2-ethyl-4-(4-fluoro-5-propyl-1H-imidazol-1-yl)phenoxy]methyl}phenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C10H15.C3H9P.C3H9Si.I.Rh/c1-6-7(2)9(4)10(5)8(6)3;2*1-4(2)3;;/h1-5H3;2*1-3H3;;/q-1;;2*-1;+3
APXSCXSDVVSTLV-UHFFFAOYSA-N
C[P](C)(C)[Rh+3]1234([I-])([C]5(C)=[C]1([C-]2([C]3(=[C]45C)C)C)C)[Si-](C)(C)C
C16H33IPRhSi
C[P](C)(C)[Rh+3]1234([I-])([C]5(C)=[C]1([C-]2([C]3(=[C]45C)C)C)C)[Si-](C)(C)C
null
null
null
null
null
InChI=1S/C57H37N3O2/c1-34-15-25-51-45(29-34)41-9-3-6-12-49(41)59(51)39-22-27-53-47(32-39)48-33-40(60-50-13-7-4-10-42(50)46-30-35(2)16-26-52(46)60)23-28-54(48)58(53)38-20-17-36(18-21-38)37-19-24-44-56(31-37)62-55-14-8-5-11-43(55)57(44)61/h3-33H,1-2H3
APXUGGRHMAQMNK-UHFFFAOYSA-N
CC1=CC=C2N(C3=CC=CC=C3C2=C1)C1=CC=C2N(C3=CC=C(C=C3C2=C1)N1C2=CC=CC=C2C2=CC(C)=CC=C12)C1=CC=C(C=C1)C1=CC=C2C(OC3=CC=CC=C3C2=O)=C1
C57H37N3O2
null
null
3-{4-[3'-methyl-6-(3-methyl-9H-carbazol-9-yl)-9H-[3,9'-bicarbazol]-9-yl]phenyl}-9H-xanthen-9-one
null
null
null
InChI=1S/C22H12F9N/c23-17(19-16(11-32-12-18(19)24)14-4-2-1-3-5-14)10-13-6-8-15(9-7-13)20(25,26)21(27,28)22(29,30)31/h1-12H
APXUSCUISXSSGK-UHFFFAOYSA-N
FC(=CC1=CC=C(C=C1)C(F)(F)C(F)(F)C(F)(F)F)C1=C(F)C=NC=C1C1=CC=CC=C1
C22H12F9N
null
null
3-fluoro-4-{1-fluoro-2-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]ethenyl}-5-phenylpyridine
null
null
null
InChI=1S/C22H24O6/c1-13(2)17(23)7-5-14(3)9-11-27-22-20-16(10-12-26-20)19(25-4)15-6-8-18(24)28-21(15)22/h6,8-10,12,17,23H,1,5,7,11H2,2-4H3/b14-9+/t17-/m1/s1
APXXNSGNHSTSFO-RKCSUWQLSA-N
CC(=C)[C@@H](CC/C(=C/COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)/C)O
C22H24O6
CC(=C)C(CCC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C)O
9-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dienoxy]-4-methoxyfuro[3,2-g]chromen-7-one
9-{[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]oxy}-4-methoxy-7H-furo[3,2-g]chromen-7-one
{"alternativeParents":["CHEMONTID:0003410","CHEMONTID:0001334","CHEMONTID:0000301","CHEMONTID:0000138","CHEMONTID:0000481","CHEMONTID:0000128","CHEMONTID:0004144","CHEMONTID:0000076","CHEMONTID:0001661","CHEMONTID:0000050","CHEMONTID:0004140","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"CHEMONTID:0002832","...
null
null
InChI=1S/C28H37NO2/c1-5-24-25(6-2)29-26(22(4)28(24)31-27(30)7-3)21-17-12-10-8-9-11-14-18-23-19-15-13-16-20-23/h13,15-16,19-20H,5-12,14,18H2,1-4H3
APXYVJXXCDAADI-UHFFFAOYSA-N
CCC(=O)OC1=C(C)C(=NC(CC)=C1CC)C#CCCCCCCCC1=CC=CC=C1
C28H37NO2
null
null
2,3-diethyl-5-methyl-6-(9-phenylnon-1-yn-1-yl)pyridin-4-yl propanoate
null
null
null
InChI=1S/C23H27N7OS/c1-17-13-18(2)30(26-17)16-22(32)29-11-9-28(10-12-29)20-14-21(25-24-15-20)27(3)23(31)19-7-5-4-6-8-19/h4-8,13-15H,9-12,16H2,1-3H3
APXYXWSANAYAAU-UHFFFAOYSA-N
CN(C(=O)C1=CC=CC=C1)C1=CC(=CN=N1)N1CCN(CC1)C(=S)CN1N=C(C)C=C1C
C23H27N7OS
null
null
N-(5-{4-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethanethioyl]piperazin-1-yl}pyridazin-3-yl)-N-methylbenzamide
null
null
null
InChI=1S/C27H21Cl2F2N3O5S.Na/c1-13-23(26(35)33-15-7-9-20(30)18(28)11-15)25(17-5-3-4-6-22(17)40(37,38)39)24(14(2)32-13)27(36)34-16-8-10-21(31)19(29)12-16;/h3-12,25,32H,1-2H3,(H,33,35)(H,34,36)(H,37,38,39);
APXZZSFNVXNBAK-UHFFFAOYSA-N
[Na].CC1=C(C(C2=C(C=CC=C2)[S](O)(=O)=O)C(C(=O)NC2=CC(Cl)=C(F)C=C2)=C(C)N1)C(=O)NC1=CC(Cl)=C(F)C=C1
C27H21Cl2F2N3NaO5S
null
null
2-{3,5-bis[(3-chloro-4-fluorophenyl)carbamoyl]-2,6-dimethyl-1,4-dihydropyridin-4-yl}benzene-1-sulfonic acid sodium
null
null
null
InChI=1S/C27H22N2O4S2/c1-16-5-3-4-6-20(16)17(2)33-26(32)29-21-9-12-28-15-18(21)7-8-19-13-22-23(34-19)14-24(35-22)27(10-11-27)25(30)31/h3-6,9,12-15,17H,10-11H2,1-2H3,(H,30,31)(H,28,29,32)
APYFVOXVKVMHMQ-UHFFFAOYSA-N
CC(OC(=O)NC1=CC=NC=C1C#CC1=CC2=C(S1)C=C(S2)C1(CC1)C(O)=O)C1=C(C)C=CC=C1
C27H22N2O4S2
null
null
1-(5-{2-[4-({[1-(2-methylphenyl)ethoxy]carbonyl}amino)pyridin-3-yl]ethynyl}thieno[3,2-b]thiophen-2-yl)cyclopropane-1-carboxylic acid
null
null
null
InChI=1S/C42H34N3O.Pt/c1-5-45-37-20-11-10-16-31(37)34-25-36(27-22-26(35-19-12-13-21-43-35)23-28(24-27)42(2,3)4)44-39(40(34)45)38-32-17-8-6-14-29(32)30-15-7-9-18-33(30)41(38)46;/h6-21,23-25,46H,5H2,1-4H3;/q-1;+2/p-1
APYHJSYXOPCSHC-UHFFFAOYSA-M
CCN1C2=CC=CC=C2C2=CC3=[N]4C(=C12)C1=C2C=CC=CC2=C2C=CC=CC2=C1[O-][Pt++]41[C-]2=C(C=C(C=C32)C(C)(C)C)C2=CC=CC=[N]12 |c:5,7,12,18,20,22,27,29,32,40,52,t:3,10,14,25,38,42,50,54,(,8.05,;1.36,8.78,;4.63,6.75,;4.05,8.18,;2.6,8.7,;2.33,10.22,;3.5,11.21,;4.95,10.69,;5.22,9.17,;6.48,8.15,;7.7,8.65,;8.59,7.78,;8.53,6.35,;7.17,6.1...
C42H33N3OPt
null
null
null
null
null
null
InChI=1S/C20H13F3N4O/c21-16-11-26-27(12-16)17-7-6-14(13-4-2-1-3-5-13)8-18(17)28-20-24-9-15(10-25-20)19(22)23/h1-12,19H
APYLLCUPXVMTFC-UHFFFAOYSA-N
FC(F)C1=CN=C(OC2=C(C=CC(=C2)C2=CC=CC=C2)N2C=C(F)C=N2)N=C1
C20H13F3N4O
null
null
5-(difluoromethyl)-2-{[4-(4-fluoro-1H-pyrazol-1-yl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine
null
null
null
InChI=1S/C48H85N13O16S/c1-24(2)21-32(58-42(71)30(14-16-36(64)65)56-44(73)33(22-25(3)4)60-46(75)38(26(5)6)61-39(68)27(50)11-10-19-53-48(51)52)43(72)55-29(13-15-35(62)63)41(70)54-28(12-8-9-18-49)40(69)59-34(23-37(66)67)45(74)57-31(47(76)77)17-20-78-7/h24-34,38H,8-23,49-50H2,1-7H3,(H,54,70)(H,55,72)(H,56,73)(H,57,74)(H,58...
APYNZMLMLCGQQE-BOOYLCFMSA-N
CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(O)=O
C48H85N13O16S
null
null
(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-methylbutyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanamido]-4-methylpentanamido]butanoic acid
null
null
null
InChI=1S/C19H18ClF4N3O6S/c1-9(2)34(32,33)25-16(29)5-4-14(28)10-6-13(12(21)7-11(10)20)27-17(30)8-15(19(22,23)24)26(3)18(27)31/h6-9H,4-5H2,1-3H3,(H,25,29)
APYUHLGYCRAKTM-UHFFFAOYSA-N
CC(C)[S](=O)(=O)NC(=O)CCC(=O)C1=C(Cl)C=C(F)C(=C1)N1C(=O)C=C(N(C)C1=O)C(F)(F)F
C19H18ClF4N3O6S
null
null
4-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenyl}-4-oxo-N-(propane-2-sulfonyl)butanamide
null
null
null
InChI=1S/C26H29F3N2/c1-4-17-11-20(19-7-5-6-8-19)14-21(12-17)24-22-10-9-18(13-23(22)30-16-31-24)15-25(2,3)26(27,28)29/h9-14,16,19H,4-8,15H2,1-3H3
APYUZOKTCOUMRD-UHFFFAOYSA-N
CCC1=CC(=CC(=C1)C1CCCC1)C1=NC=NC2=C1C=CC(CC(C)(C)C(F)(F)F)=C2
C26H29F3N2
null
null
4-(3-cyclopentyl-5-ethylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazoline
null
null
null
InChI=1S/C27H30N6O/c1-31-13-15-32(16-14-31)21-17-20(18-21)27-30-24(25-26(28)29-11-12-33(25)27)19-7-9-23(10-8-19)34-22-5-3-2-4-6-22/h2-12,20-21H,13-18H2,1H3,(H2,28,29)/t20-,21+
APYVOVVBVWBVBQ-OYRHEFFESA-N
CN1CCN(CC1)[C@H]1C[C@H](C1)C1=NC(=C2N1C=CN=C2N)C1=CC=C(OC2=CC=CC=C2)C=C1
C27H30N6O
CN1CCN([C@H]2C[C@@H](c3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)nccn43)C2)CC1
null
1-(4-phenoxyphenyl)-3-[(1s,3s)-3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
{"intermediateNodes":[],"alternativeParents":["CHEMONTID:0002463","CHEMONTID:0002327","CHEMONTID:0004388","CHEMONTID:0004742","CHEMONTID:0002341","CHEMONTID:0001694","CHEMONTID:0003899","CHEMONTID:0003358","CHEMONTID:0003886","CHEMONTID:0002311","CHEMONTID:0004144","CHEMONTID:0002239","CHEMONTID:0004139","CHEMONTID:000...
{"ep":1,"us":2}
null
InChI=1S/C20H29N7O4/c1-6-27-18(10-11-22-27)31-20(29)16-14-21-17(9-12-23-30-5)26(19(16)28)13-7-8-15(2)24-25(3)4/h10-12,14H,6-9,13H2,1-5H3
APYWKBUWAXIJJB-UHFFFAOYSA-N
CCN1N=CC=C1OC(=O)C1=CN=C(CC=NOC)N(CCCC(C)=NN(C)C)C1=O
C20H29N7O4
null
null
1-ethyl-1H-pyrazol-5-yl 1-[4-(2,2-dimethylhydrazin-1-ylidene)pentyl]-2-[2-(methoxyimino)ethyl]-6-oxo-1,6-dihydropyrimidine-5-carboxylate
null
null
null
InChI=1S/C17H24N6O4S/c1-3-23-17(27)22(7-8-28(18)10-11-5-4-6-11)16(26)13(20-23)14(24)12-9-19-21(2)15(12)25/h9,11,18,25H,3-8,10H2,1-2H3
APYXSUGESAYTCH-UHFFFAOYSA-N
CCN1N=C(C(=O)C2=C(O)N(C)N=C2)C(=O)N(CC[S](=N)CC2CCC2)C1=O
C17H24N6O4S
null
null
S-(cyclobutylmethyl)-S-{2-[2-ethyl-6-(5-hydroxy-1-methyl-1H-pyrazole-4-carbonyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-4-yl]ethyl}-λ⁴-sulfanimine
null
null
null
InChI=1S/C12H22O4/c1-8-7-10(13)11(14)12(15-8)16-9-5-3-2-4-6-9/h8-14H,2-7H2,1H3/t8-,10-,11-,12+/m1/s1
APYYRRZIZWPXMO-HKWIRBFKSA-N
C[C@@H]1C[C@@H](O)[C@@H](O)[C@H](OC2CCCCC2)O1
C12H22O4
null
null
(2S,3R,4R,6R)-2-(cyclohexyloxy)-6-methyloxane-3,4-diol
null
null
null
InChI=1S/C15H13Cl2FN4O2S/c1-3-4-5-6-11-9(16)7-10(18)14(20-11)15-13(17)12(8-19)22(21-15)25(2,23)24/h3,7H,1,4-6H2,2H3
APZFHPFPDQKEPG-UHFFFAOYSA-N
C[S](=O)(=O)N1N=C(C(Cl)=C1C#N)C1=C(F)C=C(Cl)C(CCCC=C)=N1
C15H13Cl2FN4O2S
null
null
4-chloro-3-[5-chloro-3-fluoro-6-(pent-4-en-1-yl)pyridin-2-yl]-1-methanesulfonyl-1H-pyrazole-5-carbonitrile
null
null
null
InChI=1S/C23H24N4O2/c1-3-21(29)27-12-17(14-8-6-9-19(14)27)22-13(2)16-11-18(25-26-23(16)24-22)15-7-4-5-10-20(15)28/h3-5,7,10-11,14,17,19,28H,1,6,8-9,12H2,2H3,(H,24,26)
APZKGNYPAMZOGQ-UHFFFAOYSA-N
CC1=C(NC2=NN=C(C=C12)C1=C(O)C=CC=C1)C1CN(C2CCCC12)C(=O)C=C
C23H24N4O2
CC1=C(NC2=NN=C(C=C12)C1=C(O)C=CC=C1)C1CN(C2CCCC12)C(=O)C=C
null
1-{3-[3-(2-hydroxyphenyl)-5-methyl-7H-pyrrolo[2,3-c]pyridazin-6-yl]-octahydrocyclopenta[b]pyrrol-1-yl}prop-2-en-1-one
null
null
null
InChI=1S/C21H21F3N2O4/c1-13(25-30-11-17-18(23)9-15(22)10-19(17)24)14-6-5-7-16(8-14)26(2)20(12-28-3)21(27)29-4/h5-10,12H,11H2,1-4H3/b20-12+,25-13+
APZKRTSTKRSLST-RQTUSOFNSA-N
CO\C=C(\N(C)C1=CC(=CC=C1)C(\C)=N\OCC1=C(F)C=C(F)C=C1F)C(=O)OC
C21H21F3N2O4
null
null
methyl (2E)-3-methoxy-2-[methyl({3-[(1E)-1-{[(2,4,6-trifluorophenyl)methoxy]imino}ethyl]phenyl})amino]prop-2-enoate
null
null
null
InChI=1S/C14H44FN5Si7/c1-21(2,3)17-23(7,8)19(24(17,9)10)26(13,14)20-25(11,12)18(22(4,5)6)27(20,15)16/h16H2,1-14H3
APZLTBAQMWGCBG-UHFFFAOYSA-N
C[Si](C)(C)N1[Si](C)(C)N([Si](C)(C)N2[Si](C)(C)N([Si](C)(C)C)[Si]2(N)F)[Si]1(C)C
C14H44FN5Si7
null
null
1-{dimethyl[2,2,4,4-tetramethyl-3-(trimethylsilyl)-1,3,2,4-diazadisiletidin-1-yl]silyl}-2-fluoro-4,4-dimethyl-3-(trimethylsilyl)-1,3,2,4-diazadisiletidin-2-amine
null
null
null
InChI=1S/C20H12Cl2F6N4O2/c21-12-6-11(7-13(22)8-12)18(20(26,27)28)9-16(32-34-18)10-1-2-14(19(23,24)25)15(5-10)30-31-17(33)3-4-29/h1-2,5-8,30H,3,9H2,(H,31,33)
APZNYFNIUIGNIJ-UHFFFAOYSA-N
FC(F)(F)C1=C(NNC(=O)CC#N)C=C(C=C1)C1=NOC(C1)(C1=CC(Cl)=CC(Cl)=C1)C(F)(F)F
C20H12Cl2F6N4O2
null
null
2-cyano-N'-{5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-(trifluoromethyl)phenyl}acetohydrazide
null
null
null
InChI=1S/C20H17ClF4N2O5S/c1-4-27-16(28)13(14(15(21)26-27)31-17(29)8(2)3)12-10-6-5-9(30-19(22)23)7-11(10)33-18(12)32-20(24)25/h5-8,19-20H,4H2,1-3H3
APZOKRUVEVMAKS-UHFFFAOYSA-N
CCN1N=C(Cl)C(OC(=O)C(C)C)=C(C2=C(OC(F)F)SC3=CC(OC(F)F)=CC=C23)C1=O
C20H17ClF4N2O5S
null
null
5-[2,6-bis(difluoromethoxy)-1-benzothiophen-3-yl]-3-chloro-1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl 2-methylpropanoate
null
null
null
InChI=1S/C46H26N4OS/c1-3-13-27(14-4-1)43-48-44(50-45(49-43)39-26-36-32-19-8-7-17-30(32)31-18-10-12-22-35(31)42(36)52-39)37-25-29-23-24-38-41(40(29)34-21-11-9-20-33(34)37)51-46(47-38)28-15-5-2-6-16-28/h1-26H/i1D,3D,4D,13D,14D
APZOSNCVMXERIN-CULCNESPSA-N
[2H]C1=C([2H])C([2H])=C(C([2H])=C1[2H])C1=NC(=NC(=N1)C1=CC2=CC=C3N=C(OC3=C2C2=CC=CC=C12)C1=CC=CC=C1)C1=CC2=C3C=CC=CC3=C3C=CC=CC3=C2S1
C46H26N4OS
null
null
2-{phenanthro[9,10-b]thiophen-2-yl}-4-[(2,3,4,5,6-²H₅)phenyl]-6-{2-phenylphenanthro[3,4-d][1,3]oxazol-7-yl}-1,3,5-triazine
null
null
null
InChI=1S/C19H13ClF3IN6O2S/c1-9-4-3-5-12(30-18(31)29(2)27-28-30)10(9)8-32-17-26-14(15(20)33-17)13-11(19(21,22)23)6-7-25-16(13)24/h3-7H,8H2,1-2H3
APZOWGBQYPPZTO-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(COC2=NC(=C(Cl)S2)C2=C(I)N=CC=C2C(F)(F)F)C(C)=CC=C1
C19H13ClF3IN6O2S
null
null
1-{2-[({5-chloro-4-[2-iodo-4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-2-yl}oxy)methyl]-3-methylphenyl}-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C32H48N2O16S2/c1-29(2)43-15-17(45-29)21-27(49-31(5,6)47-21)41-19(15)23(35)33-13(25(37)39-9)11-51-52-12-14(26(38)40-10)34-24(36)20-16-18(46-30(3,4)44-16)22-28(42-20)50-32(7,8)48-22/h13-22,27-28H,11-12H2,1-10H3,(H,33,35)(H,34,36)/t13-,14-,15+,16+,17-,18-,19-,20-,21+,22+,27+,28+/m0/s1
APZQDXQQNDYCHN-HHGPAOSASA-N
[H][C@@]12OC(C)(C)O[C@]1([H])[C@@]1([H])OC(C)(C)O[C@@]1([H])[C@H](O2)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H]1O[C@]2([H])OC(C)(C)O[C@]2([H])[C@@]2([H])OC(C)(C)O[C@@]12[H])C(=O)OC)C(=O)OC
C32H48N2O16S2
[H]C12OC(C)(C)OC1([H])C1([H])OC(C)(C)OC1([H])C(O2)C(=O)NC(CSSCC(NC(=O)C1OC2([H])OC(C)(C)OC2([H])C2([H])OC(C)(C)OC12[H])C(=O)OC)C(=O)OC
null
methyl (2R)-3-{[(2R)-3-methoxy-3-oxo-2-{[(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0²,⁶]dodecan-8-yl]formamido}propyl]disulfanyl}-2-{[(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0²,⁶]dodecan-8-yl]formamido}propanoate
null
null
null
InChI=1S/C18H21BrN2O3/c1-3-10-20-14(12-19)15(16(22)13-8-6-5-7-9-13)17(23)21(11-4-2)18(20)24/h5-9H,3-4,10-12H2,1-2H3
APZSBTJNURXVID-UHFFFAOYSA-N
CCCN1C(=O)N(CCC)C(CBr)=C(C(=O)C2=CC=CC=C2)C1=O
C18H21BrN2O3
null
null
5-benzoyl-6-(bromomethyl)-1,3-dipropyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
null
null
null
InChI=1S/C27H33N7O5/c1-16(2)23(25(36)31-38)34(14-22(28)35)26(37)27(11-6-12-27)21-10-9-19(13-17(21)3)39-15-18-7-4-5-8-20(18)24-29-32-33-30-24/h4-5,7-10,13,16,23,38H,6,11-12,14-15H2,1-3H3,(H2,28,35)(H,31,36)(H,29,30,32,33)/t23-/m1/s1
APZZYYAZMJGQNL-HSZRJFAPSA-N
CC(C)[C@@H](N(CC(N)=O)C(=O)C1(CCC1)C1=C(C)C=C(OCC2=C(C=CC=C2)C2=NN=NN2)C=C1)C(=O)NO
C27H33N7O5
null
null
(2R)-2-[N-(carbamoylmethyl)-1-[1-(2-methyl-4-{[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]methoxy}phenyl)cyclobutyl]formamido]-N-hydroxy-3-methylbutanamide
null
null
null
InChI=1S/C23H23ClFN7O2S/c1-5-8-15-9-7-10-18(32-23(33)30(4)28-29-32)16(15)13-34-20-11-14(3)19(12-17(20)24)31-22(35-6-2)26-21(25)27-31/h5,7-12H,6,13H2,1-4H3
AQACHRDPADAOKN-UHFFFAOYSA-N
CCSC1=NC(F)=NN1C1=CC(Cl)=C(OCC2=C(C=CC=C2C=CC)N2N=NN(C)C2=O)C=C1C
C23H23ClFN7O2S
null
null
1-[2-({2-chloro-4-[5-(ethylsulfanyl)-3-fluoro-1H-1,2,4-triazol-1-yl]-5-methylphenoxy}methyl)-3-(prop-1-en-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C30H33FN8O4/c1-35(27(40)20-36-13-15-43-16-14-36)24-8-11-37(12-9-24)34-30(41)29-32-28(23-7-4-10-38(42)19-23)33-39(29)26-18-22-6-3-2-5-21(22)17-25(26)31/h2-7,10,17-19,24H,8-9,11-16,20H2,1H3,(H,34,41)
AQADMHAYNDOUMN-UHFFFAOYSA-N
CN(C1CCN(CC1)NC(=O)C1=NC(=NN1C1=CC2=C(C=CC=C2)C=C1F)C1=C[N](=O)=CC=C1)C(=O)CN1CCOCC1
C30H33FN8O4
null
null
1-(3-fluoronaphthalen-2-yl)-N-{4-[N-methyl-2-(morpholin-4-yl)acetamido]piperidin-1-yl}-3-(1-oxo-1λ⁵-pyridin-3-yl)-1H-1,2,4-triazole-5-carboxamide
null
null
null
InChI=1S/C31H38N4.10CN.2Fe/c1(2-4-6-8-22-34-24-14-30(15-25-34)28-10-18-32-19-11-28)3-5-7-9-23-35-26-16-31(17-27-35)29-12-20-33-21-13-29;10*1-2;;/h10-21,24-27H,1-9,22-23H2;;;;;;;;;;;;/q+2;10*-1;2*+2
AQAGUQCASPUINC-UHFFFAOYSA-N
N#[C-][Fe++]([C-]#N)([C-]#N)([C-]#N)([C-]#N)[N]1=CC=C(C=C1)C1=CC=[N+](CCCCCCCCCCC[N+]2=CC=C(C=C2)C2=CC=[N](C=C2)[Fe++]([C-]#N)([C-]#N)([C-]#N)([C-]#N)[C-]#N)C=C1 |c:13,15,35,37,42,44,58,t:11,18,20,33,40,(,2.84,;1.42,2.84,;4.26,2.84,;7.1,2.84,;8.52,2.84,;4.26,,;2.84,,;1.8,1.42,;.38,1.42,;4.26,5.68,;2.84,5.68,;6.72,4.26,...
C41H38Fe2N14
null
null
null
null
null
null
InChI=1S/C28H20ClN/c29-26-18-19-30-27-17-16-24(20-25(26)27)28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-20H
AQAITBAEUHXPDD-UHFFFAOYSA-N
ClC1=CC=NC2=C1C=C(C=C2)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C28H20ClN
null
null
4-chloro-6-(triphenylmethyl)quinoline
null
null
null
InChI=1S/C40H57N11O14/c1-4-20(2)33(50-36(60)26(13-23-15-42-19-45-23)49-34(58)25(41)12-22-7-9-24(53)10-8-22)38(62)46-21(3)39(63)51-11-5-6-29(51)37(61)44-17-31(55)48-28(18-52)35(59)43-16-30(54)47-27(40(64)65)14-32(56)57/h7-10,15,19-21,25-29,33,52-53H,4-6,11-14,16-18,41H2,1-3H3,(H,42,45)(H,43,59)(H,44,61)(H,46,62)(H,47,54...
AQAKMPBREYXBQJ-ASJCWTIYSA-N
CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(O)=O
C40H57N11O14
null
null
(2S)-2-{2-[(2S)-2-(2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-5-yl)propanamido]-3-methylpentanamido]propanoyl]pyrrolidin-2-yl]formamido}acetamido)-3-hydroxypropanamido]acetamido}butanedioic acid
null
null
null
InChI=1S/C83H143N27O28/c1-39(2)29-51(70(126)95-42(7)81(137)138)100-73(129)54(32-44-19-21-45(116)22-20-44)103-74(130)55(33-62(88)118)104-67(123)47(16-10-12-26-85)96-66(122)48(17-13-27-93-82(89)90)99-80(136)64(43(8)115)110-69(125)49(18-14-28-94-83(91)92)97-76(132)58(36-112)108-75(131)56(34-63(119)120)105-72(128)52(30-40(...
AQALAGXQRDFZGX-JMUYSFBJSA-N
CC(C)C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H]...
C83H143N27O28
null
null
(3S)-3-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-4-carbamimidamidobutyl]carbamo...
null
null
null
InChI=1S/C60H40N2O/c1-37-32-53(61(44-19-7-4-8-20-44)45-27-26-39-14-9-10-17-42(39)34-45)50-30-28-48-38(2)33-54(51-31-29-47(37)59(50)60(48)51)62(52-22-12-11-21-49(52)40-15-5-3-6-16-40)46-35-43-25-24-41-18-13-23-55-57(41)58(43)56(36-46)63-55/h3-36H,1-2H3
AQALUVOYVQIZDH-UHFFFAOYSA-N
CC1=CC(=C2C=CC3=C4C2=C1C=CC4=C(C=C3C)N(C5=CC=CC=C5C6=CC=CC=C6)C7=CC8=C9C(=C7)C=CC1=C9C(=CC=C1)O8)N(C1=CC=CC=C1)C1=CC2=CC=CC=C2C=C1
C60H40N2O
CC1=CC(=C2C=CC3=C4C2=C1C=CC4=C(C=C3C)N(C5=CC=CC=C5C6=CC=CC=C6)C7=CC8=C9C(=C7)C=CC1=C9C(=CC=C1)O8)N(C1=CC=CC=C1)C1=CC2=CC=CC=C2C=C1
3,8-dimethyl-1-N-naphthalen-2-yl-6-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N-phenyl-6-N-(2-phenylphenyl)pyrene-1,6-diamine
N1-{[1,1'-biphenyl]-2-yl}-3,8-dimethyl-N6-(naphthalen-2-yl)-N1-{15-oxatetracyclo[10.2.1.0⁵,¹⁴.0⁸,¹³]pentadeca-1,3,5,7,9,11,13-heptaen-3-yl}-N6-phenylpyrene-1,6-diamine
null
{"us":1}
null
InChI=1S/C40H71N11O15S/c1-19(2)15-26(40(65)66)45-29(55)17-44-38(63)32(21(5)53)51-36(61)24(10-11-30(56)57)48-39(64)31(20(3)4)50-35(60)23(9-7-8-13-41)47-37(62)27(18-52)49-34(59)25(12-14-67-6)46-33(58)22(42)16-28(43)54/h19-27,31-32,52-53H,7-18,41-42H2,1-6H3,(H2,43,54)(H,44,63)(H,45,55)(H,46,58)(H,47,62)(H,48,64)(H,49,59)(...
AQAMREOWSHIYKH-VCJCJJBJSA-N
CSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(O)=O
C40H71N11O15S
null
null
(2S)-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]hexanamido]-3-methylbutanamido]-4-carboxybutanamido]-3-hydroxybutanamido]acetamido}-4-methylpentanoic acid
null
null
null
InChI=1S/C25H22F3N5O3S/c1-13-19(32-24(37-13)25(26,27)28)15-6-4-14(5-7-15)11-36-22-17(34-2)10-29-21(33-22)18-20(16-8-9-16)30-12-31-23(18)35-3/h4-7,10,12,16H,8-9,11H2,1-3H3
AQARZAIGSBMKMJ-UHFFFAOYSA-N
COC1=CN=C(N=C1OCC1=CC=C(C=C1)C1=C(C)SC(=N1)C(F)(F)F)C1=C(OC)N=CN=C1C1CC1
C25H22F3N5O3S
COC1=CN=C(N=C1OCC1=CC=C(C=C1)C1=C(C)SC(=N1)C(F)(F)F)C1=C(OC)N=CN=C1C1CC1
null
4'-cyclopropyl-5,6'-dimethoxy-4-({4-[5-methyl-2-(trifluoromethyl)-1,3-thiazol-4-yl]phenyl}methoxy)-2,5'-bipyrimidine
null
null
null
InChI=1S/C18H20N4O3/c1-12-5-4-6-16(22-18(24)21(3)19-20-22)15(12)11-25-17-8-7-14(10-23)9-13(17)2/h4-9,23H,10-11H2,1-3H3
AQAXNXXWZMPYKA-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(COC2=C(C)C=C(CO)C=C2)C(C)=CC=C1
C18H20N4O3
CC1=C(C(=CC=C1)N2C(=O)N(N=N2)C)COC3=C(C=C(C=C3)CO)C
1-[2-[[4-(hydroxymethyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one
1-(2-{[4-(hydroxymethyl)-2-methylphenoxy]methyl}-3-methylphenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
{"ep":1,"us":2}
null
InChI=1S/C26H24Cl2N4O2/c1-15-13-24(16(2)12-20(15)19-7-4-8-22(27)25(19)28)34-14-21-18(17-10-11-17)6-5-9-23(21)32-26(33)31(3)29-30-32/h4-9,12-13,17H,10-11,14H2,1-3H3
AQAYZLDPZWBRHD-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(COC2=C(C)C=C(C(C)=C2)C2=C(Cl)C(Cl)=CC=C2)C(=CC=C1)C1CC1
C26H24Cl2N4O2
null
null
1-{3-cyclopropyl-2-[({2',3'-dichloro-2,5-dimethyl-[1,1'-biphenyl]-4-yl}oxy)methyl]phenyl}-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C20H17Br2F2N5O/c1-11(26-20(30)15-8-28(2)27-18(15)19(23)24)5-12-3-4-14(6-13(12)7-25)29-9-16(21)17(22)10-29/h3-4,6,8-11,19H,5H2,1-2H3,(H,26,30)
AQBAPYWGCPQWSE-UHFFFAOYSA-N
CC(CC1=C(C=C(C=C1)N1C=C(Br)C(Br)=C1)C#N)NC(=O)C1=CN(C)N=C1C(F)F
C20H17Br2F2N5O
null
null
N-{1-[2-cyano-4-(3,4-dibromo-1H-pyrrol-1-yl)phenyl]propan-2-yl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
null
null
null
InChI=1S/C28H22Cl2N6S2/c29-21-11-15-23(16-12-21)31-27(37)35-33-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)34-36-28(38)32-24-17-13-22(30)14-18-24/h1-18H,(H2,31,35,37)(H2,32,36,38)
AQBGBZKLBIFSJT-UHFFFAOYSA-N
ClC1=CC=C(NC(=S)NN=C(C(=NNC(=S)NC2=CC=C(Cl)C=C2)C2=CC=CC=C2)C2=CC=CC=C2)C=C1
C28H22Cl2N6S2
ClC1=CC=C(NC(=S)NN=C(C(=NNC(=S)NC2=CC=C(Cl)C=C2)C2=CC=CC=C2)C2=CC=CC=C2)C=C1
null
3-(4-chlorophenyl)-1-{[2-({[(4-chlorophenyl)carbamothioyl]amino}imino)-1,2-diphenylethylidene]amino}thiourea
null
null
null
InChI=1S/C13H26N2O5/c1-12(2,14-7-5-9(16)17)11(20)13(3,4)15-8-6-10(18)19/h11,14-15,20H,5-8H2,1-4H3,(H,16,17)(H,18,19)
AQBHSIBZZAONBI-UHFFFAOYSA-N
CC(C)(NCCC(O)=O)C(O)C(C)(C)NCCC(O)=O
C13H26N2O5
CC(C)(NCCC(O)=O)C(O)C(C)(C)NCCC(O)=O
null
3-({4-[(2-carboxyethyl)amino]-3-hydroxy-2,4-dimethylpentan-2-yl}amino)propanoic acid
null
null
null
InChI=1S/C11H20O4/c1-6-7-9(12)14-8(2)15-10(13)11(3,4)5/h8H,6-7H2,1-5H3
AQBKLIODEZKAFH-UHFFFAOYSA-N
CCCC(=O)OC(C)OC(=O)C(C)(C)C
C11H20O4
CCCC(=O)OC(C)OC(=O)C(C)(C)C
1-butanoyloxyethyl 2,2-dimethylpropanoate
1-[(2,2-dimethylpropanoyl)oxy]ethyl butanoate
{"intermediateNodes":[],"alternativeParents":["CHEMONTID:0003989","CHEMONTID:0000346","CHEMONTID:0001656","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"substituents":["Acylal","Fatty acid ester","Dicarboxylic acid or derivatives","Carboxylic acid ester","Carboxylic acid derivative","Acetal","Organic oxy...
{"us":1}
null
InChI=1S/C48H29N3/c1-3-15-31(16-4-1)43-39-27-14-20-30-19-13-26-36(42(30)39)40-29-49-48(50-46(40)44(43)32-17-5-2-6-18-32)51-41-28-12-11-25-38(41)45-35-23-9-7-21-33(35)34-22-8-10-24-37(34)47(45)51/h1-29H
AQBLEDZZEARUBL-UHFFFAOYSA-N
C1=CC=C(C=C1)C1=C(C2=CC=CC=C2)C2=NC(=NC=C2C2=C3C(C=CC=C13)=CC=C2)N1C2=CC=CC=C2C2=C3C=CC=CC3=C3C=CC=CC3=C12
C48H29N3
null
null
21-{8,9-diphenyl-4,6-diazatetracyclo[8.7.1.0²,⁷.0¹⁴,¹⁸]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-5-yl}-21-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁵,²⁰]henicosa-1,3,5,7,9,11,13,15,17,19-decaene
null
null
null
InChI=1S/C18H25N5O2/c1-18(21-16(24)11-3-4-11)7-5-12(6-8-18)23-13-9-15(19)20-10-14(13)22(2)17(23)25/h9-12H,3-8H2,1-2H3,(H2,19,20)(H,21,24)/t12-,18+/i2D3
AQBMGYNVLVIVMU-TXBPIFJDSA-N
[2H]C([2H])([2H])N1C(=O)N([C@H]2CC[C@](C)(CC2)NC(=O)C2CC2)C2=CC(N)=NC=C12
C18H25N5O2
[2H]C([2H])([2H])N1C(=O)N(C2CCC(C)(CC2)NC(=O)C2CC2)C2=CC(N)=NC=C12
null
N-[(1s,4s)-4-[6-amino-3-(²H₃)methyl-2-oxo-1H,2H,3H-imidazo[4,5-c]pyridin-1-yl]-1-methylcyclohexyl]cyclopropanecarboxamide
null
null
null
InChI=1S/C18H19Cl2FN2/c1-5-6-13(10(2)3)15-16(18(20)23-22-17(15)19)14-9-12(21)8-7-11(14)4/h5-10,13H,1-4H3
AQBMZRJVKQQQCK-UHFFFAOYSA-N
CC=CC(C(C)C)C1=C(Cl)N=NC(Cl)=C1C1=C(C)C=CC(F)=C1
C18H19Cl2FN2
null
null
3,6-dichloro-4-(5-fluoro-2-methylphenyl)-5-(2-methylhex-4-en-3-yl)pyridazine
null
null
null
InChI=1S/C27H18F3N5O3/c1-15-4-3-7-34-24(15)35(14-21-13-32-16(2)38-21)26(37)23(25(34)36)20-9-17(11-31)8-19(10-20)18-5-6-22(33-12-18)27(28,29)30/h3-10,12-13H,14H2,1-2H3
AQBWWHWMWCOXSI-UHFFFAOYSA-N
CC1=NC=C(C[N+]2=C3N(C=CC=C3C)C(=O)[C-](C3=CC(=CC(=C3)C#N)C3=CN=C(C=C3)C(F)(F)F)C2=O)O1
C27H18F3N5O3
null
null
3-{3-cyano-5-[6-(trifluoromethyl)pyridin-3-yl]phenyl}-9-methyl-1-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,4-dioxo-2H,3H,4H-pyrido[1,2-a]pyrimidin-1-ium-3-ide
null
null
null
InChI=1S/C32H34ClN2O4/c1-32(2)24-9-3-4-10-25(24)35(16-13-27-37-17-18-38-27)26(32)12-11-21-28(33)23-19-20-7-5-14-34-15-6-8-22(29(20)34)30(23)39-31(21)36/h3-4,9-12,19,27H,5-8,13-18H2,1-2H3/q+1
AQCBEPRDKYTJBM-UHFFFAOYSA-N
CC1(C)C(C=CC2=C(Cl)C3=CC4=C5N(CCC4)CCCC5=C3OC2=O)=[N+](CCC2OCCO2)C2=CC=CC=C12
C32H34ClN2O4
null
null
2-(2-{6-chloro-4-oxo-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraen-5-yl}ethenyl)-1-[2-(1,3-dioxolan-2-yl)ethyl]-3,3-dimethyl-3H-indol-1-ium
null
null
null
InChI=1S/C19H11F5N4O3S/c20-18(21)6-13(18)10-1-4-15-26-16(8-27(15)7-10)28-9-25-14-3-2-11(5-12(14)17(28)29)32(30,31)19(22,23)24/h1-5,7-9,13H,6H2
AQCBGEHZHVIOPH-UHFFFAOYSA-N
FC(F)(F)[S](=O)(=O)C1=CC=C2N=CN(C3=CN4C=C(C=CC4=N3)C3CC3(F)F)C(=O)C2=C1
C19H11F5N4O3S
null
null
3-[6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyridin-2-yl]-6-trifluoromethanesulfonyl-3,4-dihydroquinazolin-4-one
null
null
null
InChI=1S/C14H18O2/c1-9-7-10-5-6-14(2,3)13(15)11(10)8-12(9)16-4/h7-8H,5-6H2,1-4H3
AQCCYNXTSLFCKA-UHFFFAOYSA-N
CC1=CC2=C(C=C1OC)C(=O)C(CC2)(C)C
C14H18O2
CC1=CC2=C(C=C1OC)C(=O)C(CC2)(C)C
7-methoxy-2,2,6-trimethyl-3,4-dihydronaphthalen-1-one
7-methoxy-2,2,6-trimethyl-1,2,3,4-tetrahydronaphthalen-1-one
null
null
null
InChI=1S/C37H44N4O3/c1-22-16-23(2)18-27(17-22)33-32(24(3)20-38-15-14-25-6-8-26(9-7-25)35(42)43)31-19-28(21-39-34(31)40-33)37(4,5)36(44)41-29-10-11-30(41)13-12-29/h6-9,16-19,21,24,29-30,38H,10-15,20H2,1-5H3,(H,39,40)(H,42,43)/t24-,29?,30?/m1/s1
AQCDKWVLPDIQCX-URCVZGBWSA-N
C[C@H](CNCCC1=CC=C(C=C1)C(O)=O)C1=C(NC2=NC=C(C=C12)C(C)(C)C(=O)N1C2CCC1CC2)C1=CC(C)=CC(C)=C1
C37H44N4O3
CC(CNCCC1=CC=C(C=C1)C(O)=O)C1=C(NC2=NC=C(C=C12)C(C)(C)C(=O)N1C2CCC1CC2)C1=CC(C)=CC(C)=C1
null
4-(2-{[(2S)-2-[5-(1-{7-azabicyclo[2.2.1]heptan-7-yl}-2-methyl-1-oxopropan-2-yl)-2-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]propyl]amino}ethyl)benzoic acid
null
null
null
InChI=1S/C12H12F8N2O3S3/c1-9(7(23)21-2,27(24)4-3-10(13,14)11(15,16)17)6-5-26-8(22-6)28(25)12(18,19)20/h5H,3-4H2,1-2H3,(H,21,23)
AQCFYPZLGLRJIL-UHFFFAOYSA-N
CNC(=O)C(C)(C1=CSC(=N1)[S](=O)C(F)(F)F)[S](=O)CCC(F)(F)C(F)(F)F
C12H12F8N2O3S3
null
null
N-methyl-2-(3,3,4,4,4-pentafluorobutanesulfinyl)-2-(2-trifluoromethanesulfinyl-1,3-thiazol-4-yl)propanamide
null
null
null
InChI=1S/C23H27N5O6S/c1-35(32,33)9-6-20(21(29)27-31)23(26)7-8-28(22(23)30)18-2-4-19(5-3-18)34-14-16-10-15(13-24)11-17(25)12-16/h2-5,10-12,20,31H,6-9,14,25-26H2,1H3,(H,27,29)/t20-,23+/m1/s1
AQCGWWJAIBANLV-OFNKIYASSA-N
C[S](=O)(=O)CC[C@H](C(=O)NO)[C@@]1(N)CCN(C1=O)C1=CC=C(OCC2=CC(=CC(N)=C2)C#N)C=C1
C23H27N5O6S
CS(=O)(=O)CCC(C(=O)NO)C1(N)CCN(C1=O)C1=CC=C(OCC2=CC(=CC(N)=C2)C#N)C=C1
null
(2S)-2-[(3S)-3-amino-1-{4-[(3-amino-5-cyanophenyl)methoxy]phenyl}-2-oxopyrrolidin-3-yl]-N-hydroxy-4-methanesulfonylbutanamide
null
null
null
InChI=1S/C18H27ClN5.HI/c1-24(12-4-5-13-24)14-17-18(22-10-2-3-11-22)23(21-20-17)16-8-6-15(19)7-9-16;/h6-9,17-18H,2-5,10-14H2,1H3;1H/q+1;/p-1/t17-,18+;/m1./s1
AQCHWBULOQPJFI-URBRKQAFSA-M
[I-].C[N+]1(C[C@H]2N=NN([C@@H]2N2CCCC2)C2=CC=C(Cl)C=C2)CCCC1
C18H27ClIN5
null
null
1-{[(4R,5S)-1-(4-chlorophenyl)-5-(pyrrolidin-1-yl)-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl}-1-methylpyrrolidin-1-ium iodide
null
null
null
InChI=1S/C16H20F2INO2/c1-9-12(15(21)22-3)14(20-10(2)13(9)19)11-5-4-7-16(17,18)8-6-11/h11H,4-8H2,1-3H3
AQCIXSOXDJPMFR-UHFFFAOYSA-N
COC(=O)C1=C(N=C(C)C(I)=C1C)C1CCCC(F)(F)CC1
C16H20F2INO2
COC(=O)C1=C(N=C(C)C(I)=C1C)C1CCCC(F)(F)CC1
null
methyl 2-(4,4-difluorocycloheptyl)-5-iodo-4,6-dimethylpyridine-3-carboxylate
null
null
null
InChI=1S/C24H27Cl2FN2O4S/c1-14-22(4-3-7-29(14)13-15-8-17(25)10-18(26)9-15)33-23-12-21(27)20(11-19(23)16-5-6-16)24(30)28-34(2,31)32/h8-12,14,16,22H,3-7,13H2,1-2H3,(H,28,30)/t14-,22-/m0/s1
AQCJPKSGNJCPEK-FPTDNZKUSA-N
C[C@H]1[C@H](CCCN1CC1=CC(Cl)=CC(Cl)=C1)OC1=C(C=C(C(=O)N[S](C)(=O)=O)C(F)=C1)C1CC1
C24H27Cl2FN2O4S
CC1C(CCCN1CC1=CC(Cl)=CC(Cl)=C1)OC1=C(C=C(C(=O)NS(C)(=O)=O)C(F)=C1)C1CC1
5-cyclopropyl-4-[(2S,3S)-1-[(3,5-dichlorophenyl)methyl]-2-methylpiperidin-3-yl]oxy-2-fluoro-N-methylsulfonylbenzamide
5-cyclopropyl-4-{[(2S,3S)-1-[(3,5-dichlorophenyl)methyl]-2-methylpiperidin-3-yl]oxy}-2-fluoro-N-methanesulfonylbenzamide
null
{"us":1}
null
InChI=1S/C34H45ClN6O3/c1-25-36-24-30-31(38-27-11-9-13-29(23-27)43-28-12-8-10-26(35)22-28)14-17-40(32(30)37-25)16-7-5-6-15-39-18-20-41(21-19-39)33(42)44-34(2,3)4/h8-13,22-24,31,38H,5-7,14-21H2,1-4H3
AQCJQZQAZFQNCM-UHFFFAOYSA-N
CC1=NC=C2C(CCN(CCCCCN3CCN(CC3)C(=O)OC(C)(C)C)C2=N1)NC1=CC(OC2=CC(Cl)=CC=C2)=CC=C1
C34H45ClN6O3
CC1=NC=C2C(CCN(C2=N1)CCCCCN3CCN(CC3)C(=O)OC(C)(C)C)NC4=CC(=CC=C4)OC5=CC(=CC=C5)Cl
tert-butyl 4-[5-[5-[3-(3-chlorophenoxy)anilino]-2-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl]pentyl]piperazine-1-carboxylate
tert-butyl 4-[5-(5-{[3-(3-chlorophenoxy)phenyl]amino}-2-methyl-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-8-yl)pentyl]piperazine-1-carboxylate
null
null
null
InChI=1S/C53H86N16O10S/c1-5-29(3)43(50(77)64-35(16-11-12-23-54)48(75)67-44(30(4)6-2)51(78)65-37(46(56)73)26-31-27-61-33-15-8-7-14-32(31)33)68-49(76)36(20-21-40(55)70)63-47(74)34(17-13-24-60-52(57)58)62-42(72)22-25-59-41(71)19-10-9-18-39-45-38(28-80-39)66-53(79)69-45/h7-8,14-15,27,29-30,34-39,43-45,61H,5-6,9-13,16-26,28...
AQCKKADIOGJJRG-BXNUNPEKSA-N
[H][C@]12CS[C@@H](CCCCC(=O)NCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC3=CNC4=CC=CC=C34)C(N)=O)[C@@]1([H])NC(=O)N2
C53H86N16O10S
null
null
(2S)-2-[(2S)-2-(3-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}propanamido)-5-carbamimidamidopentanamido]-N-[(1S,2S)-1-{[(1S)-5-amino-1-{[(1S,2S)-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}pentyl]carbamoyl}-2-methylbutyl]pentanediamide
null
null
null
InChI=1S/C15H17N3O/c19-12-3-1-11(2-4-12)18-8-6-10-9-17-15-13(14(10)18)5-7-16-15/h5-9,11-12,19H,1-4H2,(H,16,17)/t11-,12+
AQCPBBJAMCANBX-TXEJJXNPSA-N
O[C@H]1CC[C@H](CC1)N1C=CC2=CNC3=NC=CC3=C12
C15H17N3O
null
null
(1s,4s)-4-{3,8,10-triazatricyclo[7.3.0.0²,⁶]dodeca-1,4,6,9,11-pentaen-3-yl}cyclohexan-1-ol
null
{"wo":1,"ep":1,"us":1}
null
InChI=1S/C12H21NO2/c1-6-10(7-2)11(14)12(5)8(3)9(4)13-15-12/h10-11,14H,3,6-7H2,1-2,4-5H3/t11-,12-/m1/s1
AQCQEAQWQSADDP-VXGBXAGGSA-N
CCC(CC)[C@@H](O)[C@]1(C)ON=C(C)C1=C
C12H21NO2
null
null
(1R)-1-[(5R)-3,5-dimethyl-4-methylidene-4,5-dihydro-1,2-oxazol-5-yl]-2-ethylbutan-1-ol
null
null
null
InChI=1S/C14H17N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-14-15-12-4-2-3-5-13(12)16-14/h6-9H,2-5H2,1H3,(H2,15,16,17)
AQCRFAOWJQHVBO-UHFFFAOYSA-N
CC1=CC=C(C=C1)[S](=O)(=O)NC1=NC2=C(CCCC2)N1
C14H17N3O2S
CC1=CC=C(C=C1)S(=O)(=O)NC1=NC2=C(CCCC2)N1
null
4-methyl-N-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-yl)benzene-1-sulfonamide
null
null
null
InChI=1S/C21H18ClF7N8O4S/c1-3-5-35-8-12(14(38)33-18(35)41-9-19(23,24)20(25,26)21(27,28)29)13-15(42(39,40)4-2)36-7-11(6-30-17(36)32-13)37-10-31-16(22)34-37/h6-8,10H,3-5,9H2,1-2H3
AQCSNOWVCICCMT-UHFFFAOYSA-N
CCCN1C=C(C2=C(N3C=C(C=NC3=N2)N2C=NC(Cl)=N2)[S](=O)(=O)CC)C(=O)N=C1OCC(F)(F)C(F)(F)C(F)(F)F
C21H18ClF7N8O4S
null
null
5-[6-(3-chloro-1H-1,2,4-triazol-1-yl)-3-(ethanesulfonyl)imidazo[1,2-a]pyrimidin-2-yl]-2-(2,2,3,3,4,4,4-heptafluorobutoxy)-1-propyl-1,4-dihydropyrimidin-4-one
null
null
null
InChI=1S/C44H60N4.ClH.Cl.Ni/c1-5-41-33-46(30-38-23-15-10-16-24-38)43(7-3)35-48(32-40-27-19-12-20-28-40)44(8-4)36-47(31-39-25-17-11-18-26-39)42(6-2)34-45(41)29-37-21-13-9-14-22-37;;;/h9-28,41-44H,5-8,29-36H2,1-4H3;1H;;/q;;-1;+2/p-1/t41-,42-,43-,44-;;;/m1.../s1
AQCSTSZPLKFIOU-PGPJFZDUSA-M
[Cl-].CC[C@@H]1C[N@]2(CC3=CC=CC=C3)[C@H](CC)C[N@]3(CC4=CC=CC=C4)[C@H](CC)C[N@]4(CC5=CC=CC=C5)[C@H](CC)C[N@@]1(CC1=CC=CC=C1)[Ni++]234[Cl-] |r,wU:3.1,25.26,37.39,13.13,wD:41.44,17.17,29.30,5.4,c:8,10,21,23,34,36,48,50,t:6,19,32,46,(6.24,,;10.03,11.17,;8.8,11.88,;7.57,11.17,;4.96,11.11,;4.96,9.64,;3.95,10.64,;3.95,12.06,;...
C44H60Cl2N4Ni
null
null
[(1R,2R,4S,5R,7S,8R,10S,11R)-1,4,7,10-tetrabenzyl-2,5,8,11-tetraethyl-1λ⁴,4λ⁴,7λ⁴,10λ⁴-tetraaza-13-nickelatetracyclo[5.5.1.0⁴,¹³.0¹⁰,¹³]tridecane-13,13-bis(ylium)-13-yl]-λ³-chloranidyl chloride
null
null
null
InChI=1S/C16H13N3O5S2/c1-19-16(20)15(11(8-18-19)24-26(3,21)22)14-10-6-9(23-2)4-5-12(10)25-13(14)7-17/h4-6,8H,1-3H3
AQCXJPHVEYMCIM-UHFFFAOYSA-N
COC1=CC=C2SC(C#N)=C(C2=C1)C1=C(O[S](C)(=O)=O)C=NN(C)C1=O
C16H13N3O5S2
null
null
5-(2-cyano-5-methoxy-1-benzothiophen-3-yl)-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl methanesulfonate
null
null
null
InChI=1S/C34H32N10O2/c35-17-28-30-31(44(41-28)26-12-3-7-21(16-26)32-38-34(46)40-39-32)33(45)43(20-37-30)29-15-14-22(18-36-29)27-13-2-1-6-23(27)19-42(24-8-4-9-24)25-10-5-11-25/h1-3,6-7,12-16,18,24-25,37H,4-5,8-11,19-20H2,(H2,38,39,40,46)
AQCYQWZTFPSVME-UHFFFAOYSA-N
O=C1NN=C(N1)C1=CC=CC(=C1)N1N=C(C#N)C2=C1C(=O)N(CN2)C1=CC=C(C=N1)C1=C(CN(C2CCC2)C2CCC2)C=CC=C1
C34H32N10O2
null
null
6-(5-{2-[(dicyclobutylamino)methyl]phenyl}pyridin-2-yl)-7-oxo-1-[3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile
null
null
null
InChI=1S/C21H23ClN8O3/c1-6-13-19(25-28(3)20(13)32-5)18-12(2)10-17(23-24-18)33-11-14-15(22)8-7-9-16(14)30-21(31)29(4)26-27-30/h7-10H,6,11H2,1-5H3
AQDBXRMJMZHDAR-UHFFFAOYSA-N
CCC1=C(OC)N(C)N=C1C1=C(C)C=C(OCC2=C(C=CC=C2Cl)N2N=NN(C)C2=O)N=N1
C21H23ClN8O3
null
null
1-[3-chloro-2-({[6-(4-ethyl-5-methoxy-1-methyl-1H-pyrazol-3-yl)-5-methylpyridazin-3-yl]oxy}methyl)phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null