 | | SGO | | Name: | (3S)-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid | | Formula: | C22 H25 N O3 | | SMILES: | Cc1ccc(cc1)[CH](CC(O)=O)NC(=O)Cc2ccc3CCCCc3c2 | | InChi: | InChI=1S/C22H25NO3/c1-15-6-9-18(10-7-15)20(14-22(25)26)23-21(24)13-16-8-11-17-4-2-3-5-19(17)12-16/h6-12,20H,2-5,13-14H2,1H3,(H,23,24)(H,25,26)/t20-/m0/s1 | | Definition date: | 2023-04-12 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (3~{S})-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid |
|
 | | KPO | | Name: | 1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine | | Formula: | C37 H49 N9 O5 | | SMILES: | NCCCC[CH]1NC(=O)[CH](Cc2ccc3ccccc3c2)NC(=O)Cc4cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N)c4 | | InChi: | InChI=1S/C37H49N9O5/c38-16-5-3-12-29-34(49)41-17-6-4-13-30(46-37(39)40)35(50)43-23-33(48)42-22-26-9-7-8-24(18-26)21-32(47)44-31(36(51)45-29)20-25-14-15-27-10-1-2-11-28(27)19-25/h1-2,7-11,14-15,18-19,29-31H,3-6,12-13,16-17,20-23,38H2,(H,41,49)(H,42,48)(H,43,50)(H,44,47)(H,45,51)(H4,39,40,46)/t29-,30+,31-/m0/s1 | | Definition date: | 2022-06-01 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
|
 | | SIU | | Name: | (2R,3S)-2-methyl-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid | | Formula: | C23 H27 N O3 | | SMILES: | C[CH]([CH](NC(=O)Cc1ccc2CCCCc2c1)c3ccc(C)cc3)C(O)=O | | InChi: | InChI=1S/C23H27NO3/c1-15-7-10-19(11-8-15)22(16(2)23(26)27)24-21(25)14-17-9-12-18-5-3-4-6-20(18)13-17/h7-13,16,22H,3-6,14H2,1-2H3,(H,24,25)(H,26,27)/t16-,22+/m1/s1 | | Definition date: | 2023-04-12 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2~{R},3~{S})-2-methyl-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid |
|
 | | QX0 | | Name: | 2-(3-cyanoanilino)benzoic acid | | Formula: | C14 H10 N2 O2 | | SMILES: | O=C(O)c1ccccc1Nc1cccc(C#N)c1 | | InChi: | InChI=1S/C14H10N2O2/c15-9-10-4-3-5-11(8-10)16-13-7-2-1-6-12(13)14(17)18/h1-8,16H,(H,17,18) | | Definition date: | 2023-05-08 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-(3-cyanoanilino)benzoic acid |
|
 | | 87B | | Name: | N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | | Formula: | C17 H17 N3 O2 S | | SMILES: | O=[S](=O)(Nc1ccc2[nH]c(nc2c1)C3CCC3)c4ccccc4 | | InChi: | InChI=1S/C17H17N3O2S/c21-23(22,14-7-2-1-3-8-14)20-13-9-10-15-16(11-13)19-17(18-15)12-5-4-6-12/h1-3,7-12,20H,4-6H2,(H,18,19) | | Definition date: | 2021-10-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | ~{N}-(2-cyclobutyl-1~{H}-benzimidazol-5-yl)benzenesulfonamide |
|
 | | KS9 | | Name: | (phenylmethyl) N-[(3S,4S)-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate | | Formula: | C15 H21 N O3 | | SMILES: | CC[CH](C)[CH](NC(=O)OCc1ccccc1)C(C)=O | | InChi: | InChI=1S/C15H21NO3/c1-4-11(2)14(12(3)17)16-15(18)19-10-13-8-6-5-7-9-13/h5-9,11,14H,4,10H2,1-3H3,(H,16,18)/t11-,14-/m0/s1 | | Synonyms: | benzyl ((3S,4R)-1-chloro-4-methyl-2-oxohexan-3-yl)carb (reacted form of) | | Definition date: | 2022-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (phenylmethyl) ~{N}-[(3~{S},4~{S})-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate |
|
 | | QJD | | Name: | [6-(piperidin-1-yl)[1,1'-biphenyl]-3-yl]acetic acid | | Formula: | C19 H21 N O2 | | SMILES: | O=C(O)Cc1cc(c(cc1)N1CCCCC1)c1ccccc1 | | InChi: | InChI=1S/C19H21NO2/c21-19(22)14-15-9-10-18(20-11-5-2-6-12-20)17(13-15)16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,21,22) | | Definition date: | 2023-05-08 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | [6-(piperidin-1-yl)[1,1'-biphenyl]-3-yl]acetic acid |
|
 | | QJQ | | Name: | 2-{[(3M)-6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid | | Formula: | C20 H20 F2 N2 O3 S2 | | SMILES: | O=C(O)C=1CCCCC=1C(=O)Nc1sc2CC(F)(F)CCc2c1c1nc(C)cs1 | | InChi: | InChI=1S/C20H20F2N2O3S2/c1-10-9-28-17(23-10)15-13-6-7-20(21,22)8-14(13)29-18(15)24-16(25)11-4-2-3-5-12(11)19(26)27/h9H,2-8H2,1H3,(H,24,25)(H,26,27) | | Definition date: | 2023-05-08 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-{[(3M)-6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid |
|
 | | QYP | | Name: | (4S)-6-bromo-4-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid | | Formula: | C16 H20 Br N O3 | | SMILES: | O=C(O)C1(CC(=O)Nc2ccc(Br)cc21)CCCCCC | | InChi: | InChI=1S/C16H20BrNO3/c1-2-3-4-5-8-16(15(20)21)10-14(19)18-13-7-6-11(17)9-12(13)16/h6-7,9H,2-5,8,10H2,1H3,(H,18,19)(H,20,21)/t16-/m0/s1 | | Definition date: | 2023-05-08 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (4S)-6-bromo-4-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid |
|
 | | KT6 | | Name: | 4,5-bis(chloranyl)-N-(2-hydroxyethyl)-2-sulfanyl-benzamide | | Formula: | C9 H9 Cl2 N O2 S | | SMILES: | OCCNC(=O)c1cc(Cl)c(Cl)cc1S | | InChi: | InChI=1S/C9H9Cl2NO2S/c10-6-3-5(8(15)4-7(6)11)9(14)12-1-2-13/h3-4,13,15H,1-2H2,(H,12,14) | | Synonyms: | 5,6-Dichloro-2-(2-hydroxyethyl)-1,2-benzisothiazol-3-one (reacted form of) | | Definition date: | 2022-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 4,5-bis(chloranyl)-~{N}-(2-hydroxyethyl)-2-sulfanyl-benzamide |
|
 | | QJX | | Name: | (3M)-N,N-diethyl-4-(pyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine | | Formula: | C20 H25 N7 | | SMILES: | CCN(CC)c1nc2CCCCCc2c(c1c1nnn[NH]1)c1ccncc1 | | InChi: | InChI=1S/C20H25N7/c1-3-27(4-2)20-18(19-23-25-26-24-19)17(14-10-12-21-13-11-14)15-8-6-5-7-9-16(15)22-20/h10-13H,3-9H2,1-2H3,(H,23,24,25,26) | | Definition date: | 2023-05-08 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (3M)-N,N-diethyl-4-(pyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine |
|
 | | KTI | | Name: | (E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide | | Formula: | C16 H14 Cl2 N2 O4 S | | SMILES: | COc1ccc(NC(=O)C=C(Cl)[S](=O)(=O)Cc2ccccc2Cl)nc1 | | InChi: | InChI=1S/C16H14Cl2N2O4S/c1-24-12-6-7-15(19-9-12)20-16(21)8-14(18)25(22,23)10-11-4-2-3-5-13(11)17/h2-9H,10H2,1H3,(H,19,20,21)/b14-8- | | Synonyms: | (E)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfonyl]-N-(6-methoxypyridin-2-yl)prop-2-enamide (reacted form of) | | Definition date: | 2022-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (~{E})-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-~{N}-(5-methoxypyridin-2-yl)prop-2-enamide |
|
 | | QZI | | Name: | 2-methyl-2-(pentachlorophenoxy)propanoic acid | | Formula: | C10 H7 Cl5 O3 | | SMILES: | Clc1c(OC(C)(C)C(=O)O)c(Cl)c(Cl)c(Cl)c1Cl | | InChi: | InChI=1S/C10H7Cl5O3/c1-10(2,9(16)17)18-8-6(14)4(12)3(11)5(13)7(8)15/h1-2H3,(H,16,17) | | Definition date: | 2023-05-08 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-methyl-2-(pentachlorophenoxy)propanoic acid |
|
 | | KUL | | Name: | 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione | | Formula: | C11 H10 F N O4 S | | SMILES: | C[S](=O)(=O)c1ccc(F)c(c1)N2C(=O)CCC2=O | | InChi: | InChI=1S/C11H10FNO4S/c1-18(16,17)7-2-3-8(12)9(6-7)13-10(14)4-5-11(13)15/h2-3,6H,4-5H2,1H3 | | Synonyms: | 1-(2-Fluoro-5-methylsulfonylphenyl)pyrrole-2,5-dione (reacted form of) | | Definition date: | 2022-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione |
|
 | | KUS | | Name: | (Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide | | Formula: | C10 H8 Cl N O2 | | SMILES: | Clc1ccc(NC(=O)C=CC=O)cc1 | | InChi: | InChI=1S/C10H8ClNO2/c11-8-3-5-9(6-4-8)12-10(14)2-1-7-13/h1-7H,(H,12,14)/b2-1- | | Synonyms: | N1-(4-chlorophenyl)-2-butenediamide (reacted form of) | | Definition date: | 2022-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (~{Z})-~{N}-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide |
|
 | | QLL | | Name: | 2-({[4-(benzyloxy)-1H-indazol-3-yl]methyl}sulfanyl)-5-(methylsulfanyl)pyrimidin-4-ol | | Formula: | C20 H18 N4 O2 S2 | | SMILES: | Oc1nc(ncc1SC)SCc1n[NH]c2cccc(OCc3ccccc3)c21 | | InChi: | InChI=1S/C20H18N4O2S2/c1-27-17-10-21-20(22-19(17)25)28-12-15-18-14(23-24-15)8-5-9-16(18)26-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,23,24)(H,21,22,25) | | Definition date: | 2023-05-08 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-({[4-(benzyloxy)-1H-indazol-3-yl]methyl}sulfanyl)-5-(methylsulfanyl)pyrimidin-4-ol |
|
 | | KW2 | | Name: | (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol | | Formula: | C24 H34 N2 O4 | | SMILES: | C[CH]1[CH](C[CH]2C[CH]1C2(C)C)NCc3cn([CH]4OC[CH](O)[CH](O)[CH]4O)c5ccccc35 | | InChi: | InChI=1S/C24H34N2O4/c1-13-17-8-15(24(17,2)3)9-18(13)25-10-14-11-26(19-7-5-4-6-16(14)19)23-22(29)21(28)20(27)12-30-23/h4-7,11,13,15,17-18,20-23,25,27-29H,8-10,12H2,1-3H3/t13-,15+,17-,18-,20-,21+,22-,23-/m1/s1 | | Definition date: | 2022-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol |
|
 | | KW6 | | Name: | (2R,3R,4S,5R)-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol | | Formula: | C22 H19 N5 O4 | | SMILES: | Nc1ncnc2n(cc(C#Cc3cnc4ccccc4c3)c12)[CH]5O[CH](CO)[CH](O)[CH]5O | | InChi: | InChI=1S/C22H19N5O4/c23-20-17-14(6-5-12-7-13-3-1-2-4-15(13)24-8-12)9-27(21(17)26-11-25-20)22-19(30)18(29)16(10-28)31-22/h1-4,7-9,11,16,18-19,22,28-30H,10H2,(H2,23,25,26)/t16-,18-,19-,22-/m1/s1 | | Definition date: | 2022-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
|
 | | NC0 | | Name: | 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid | | Formula: | C16 H14 N2 O3 | | SMILES: | O=C(O)c1ccccc1NC(=O)N1CCc2ccccc21 | | InChi: | InChI=1S/C16H14N2O3/c19-15(20)12-6-2-3-7-13(12)17-16(21)18-10-9-11-5-1-4-8-14(11)18/h1-8H,9-10H2,(H,17,21)(H,19,20) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid |
|
 | | KWX | | Name: | (1S,2S)-2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid | | Formula: | C14 H15 Cl F N O3 | | SMILES: | OC(=O)C1CCCCC1C(=O)Nc1ccc(F)c(Cl)c1 | | InChi: | InChI=1S/C14H15ClFNO3/c15-11-7-8(5-6-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)/t9-,10+/m0/s1 | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (1S,2S)-2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid |
|
 | | L8T | | Name: | 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid | | Formula: | C18 H21 N O5 S | | SMILES: | O=C(O)C=1CCCC=1C(=O)Nc1sc2CCCCc2c1C(=O)OCC | | InChi: | InChI=1S/C18H21NO5S/c1-2-24-18(23)14-12-6-3-4-9-13(12)25-16(14)19-15(20)10-7-5-8-11(10)17(21)22/h2-9H2,1H3,(H,19,20)(H,21,22) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid |
|
 | | LE0 | | Name: | {[3-(trifluoromethyl)phenyl]methyl}propanedioic acid | | Formula: | C11 H9 F3 O4 | | SMILES: | FC(F)(F)c1cccc(CC(C(=O)O)C(=O)O)c1 | | InChi: | InChI=1S/C11H9F3O4/c12-11(13,14)7-3-1-2-6(4-7)5-8(9(15)16)10(17)18/h1-4,8H,5H2,(H,15,16)(H,17,18) | | Definition date: | 2022-03-03 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | {[3-(trifluoromethyl)phenyl]methyl}propanedioic acid |
|
 | | LE5 | | Name: | (8S)-5-[(4-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C18 H14 Cl N5 O | | SMILES: | Clc1ccc(cc1)NCC1=CC(=O)n2nc(nc2N1)c1ccccc1 | | InChi: | InChI=1S/C18H14ClN5O/c19-13-6-8-14(9-7-13)20-11-15-10-16(25)24-18(21-15)22-17(23-24)12-4-2-1-3-5-12/h1-10,20H,11H2,(H,21,22,23) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (8S)-5-[(4-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
|
 | | LQX | | Name: | 1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide | | Formula: | C23 H26 N6 O4 S2 | | SMILES: | Cn1nc(C)cc1CN2C(=O)N(Cc3sc(C)nc3)C(=O)c4cc(ccc24)[S](=O)(=O)NC5(C)CC5 | | InChi: | InChI=1S/C23H26N6O4S2/c1-14-9-16(27(4)25-14)12-28-20-6-5-18(35(32,33)26-23(3)7-8-23)10-19(20)21(30)29(22(28)31)13-17-11-24-15(2)34-17/h5-6,9-11,26H,7-8,12-13H2,1-4H3 | | Definition date: | 2022-07-11 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 1-[(2,5-dimethylpyrazol-3-yl)methyl]-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide |
|
 | | LWL | | Name: | N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium | | Formula: | C11 H17 N4 O | | SMILES: | C[N+](C)(C)CC(=O)NN=Cc1ccccn1 | | InChi: | InChI=1S/C11H16N4O/c1-15(2,3)9-11(16)14-13-8-10-6-4-5-7-12-10/h4-8H,9H2,1-3H3/p+1 | | Synonyms: | ~{N}-[(~{E})-pyridin-2-ylmethylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide | | Definition date: | 2022-07-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | trimethyl-[2-oxidanylidene-2-[(2~{E})-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium |
|
