 | | VMR | | Name: | (4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine | | Formula: | C16 H15 Cl N2 O | | SMILES: | Clc1ccc(Oc2cccc(c2)[CH]3CNC(=N)C3)cc1 | | InChi: | InChI=1S/C16H15ClN2O/c17-13-4-6-14(7-5-13)20-15-3-1-2-11(8-15)12-9-16(18)19-10-12/h1-8,12H,9-10H2,(H2,18,19)/t12-/m0/s1 | | Definition date: | 2023-03-20 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine |
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 | | WI8 | | Name: | 2-{[(2M)-5-bromo-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid | | Formula: | C18 H16 Br N3 O4 | | SMILES: | O=C(O)C=1CCCC=1C(=O)Nc1cc(Br)ccc1c1nc(no1)C1CC1 | | InChi: | InChI=1S/C18H16BrN3O4/c19-10-6-7-13(17-21-15(22-26-17)9-4-5-9)14(8-10)20-16(23)11-2-1-3-12(11)18(24)25/h6-9H,1-5H2,(H,20,23)(H,24,25) | | Definition date: | 2023-05-12 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-{[(2M)-5-bromo-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid |
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 | | WIC | | Name: | (2S)-6-(4-chlorophenoxy)-2-(4-methylphenoxy)hexanoic acid | | Formula: | C19 H21 Cl O4 | | SMILES: | Clc1ccc(OCCCCC(Oc2ccc(C)cc2)C(=O)O)cc1 | | InChi: | InChI=1S/C19H21ClO4/c1-14-5-9-17(10-6-14)24-18(19(21)22)4-2-3-13-23-16-11-7-15(20)8-12-16/h5-12,18H,2-4,13H2,1H3,(H,21,22)/t18-/m0/s1 | | Definition date: | 2023-05-12 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2S)-6-(4-chlorophenoxy)-2-(4-methylphenoxy)hexanoic acid |
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 | | VMZ | | Name: | 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone | | Formula: | C27 H33 Cl N6 O | | SMILES: | CC(=O)N1CCN(CC1)c2ccc3c(NCCN)nc(nc3c2)C4(CCCC4)c5ccc(Cl)cc5 | | InChi: | InChI=1S/C27H33ClN6O/c1-19(35)33-14-16-34(17-15-33)22-8-9-23-24(18-22)31-26(32-25(23)30-13-12-29)27(10-2-3-11-27)20-4-6-21(28)7-5-20/h4-9,18H,2-3,10-17,29H2,1H3,(H,30,31,32) | | Definition date: | 2023-03-20 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone |
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 | | WIF | | Name: | 3-[(2,4-dichloro-5-methylbenzene-1-sulfonyl)amino]thiophene-2-carboxamide | | Formula: | C12 H10 Cl2 N2 O3 S2 | | SMILES: | O=S(=O)(Nc1ccsc1C(N)=O)c1cc(C)c(Cl)cc1Cl | | InChi: | InChI=1S/C12H10Cl2N2O3S2/c1-6-4-10(8(14)5-7(6)13)21(18,19)16-9-2-3-20-11(9)12(15)17/h2-5,16H,1H3,(H2,15,17) | | Definition date: | 2023-05-12 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 3-[(2,4-dichloro-5-methylbenzene-1-sulfonyl)amino]thiophene-2-carboxamide |
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 | | T6I | | Name: | (2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid | | Formula: | C23 H26 F N O3 | | SMILES: | C[CH]([CH](NC(=O)[CH](F)c1ccc2CCCCc2c1)c3ccc(C)cc3)C(O)=O | | InChi: | InChI=1S/C23H26FNO3/c1-14-7-9-17(10-8-14)21(15(2)23(27)28)25-22(26)20(24)19-12-11-16-5-3-4-6-18(16)13-19/h7-13,15,20-21H,3-6H2,1-2H3,(H,25,26)(H,27,28)/t15-,20+,21+/m1/s1 | | Definition date: | 2023-04-20 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2~{R},3~{S})-3-[[(2~{S})-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid |
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 | | WII | | Name: | 2-{[(3P)-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid | | Formula: | C21 H25 N3 O4 S | | SMILES: | O=C(O)C=1CCCC=1C(=O)Nc1sc2CCCCc2c1c1nc(on1)C(C)(C)C | | InChi: | InChI=1S/C21H25N3O4S/c1-21(2,3)20-22-16(24-28-20)15-13-7-4-5-10-14(13)29-18(15)23-17(25)11-8-6-9-12(11)19(26)27/h4-10H2,1-3H3,(H,23,25)(H,26,27) | | Definition date: | 2023-05-12 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-{[(3P)-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid |
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 | | P6X | | Name: | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol | | Formula: | C10 H7 Cl2 N3 O S | | SMILES: | Oc1nc(SCc2ccc(Cl)c(Cl)c2)nnc1 | | InChi: | InChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(3-8(7)12)5-17-10-14-9(16)4-13-15-10/h1-4H,5H2,(H,14,15,16) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol |
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 | | WIL | | Name: | (1M)-7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid | | Formula: | C19 H16 O4 | | SMILES: | COc1cc(ccc1)c1c2cc(OC)ccc2ccc1C(=O)O | | InChi: | InChI=1S/C19H16O4/c1-22-14-5-3-4-13(10-14)18-16(19(20)21)9-7-12-6-8-15(23-2)11-17(12)18/h3-11H,1-2H3,(H,20,21) | | Definition date: | 2023-05-12 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (1M)-7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid |
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 | | WJ3 | | Name: | 2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol | | Formula: | C9 H4 Cl2 F6 O2 | | SMILES: | Clc1cc(cc(Cl)c1O)C(O)(C(F)(F)F)C(F)(F)F | | InChi: | InChI=1S/C9H4Cl2F6O2/c10-4-1-3(2-5(11)6(4)18)7(19,8(12,13)14)9(15,16)17/h1-2,18-19H | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol |
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 | | WJ8 | | Name: | (8S)-5-(chloromethyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C12 H9 Cl N4 O | | SMILES: | O=C1C=C(Nc2nc(nn12)c1ccccc1)CCl | | InChi: | InChI=1S/C12H9ClN4O/c13-7-9-6-10(18)17-12(14-9)15-11(16-17)8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15,16) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (8S)-5-(chloromethyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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 | | WJH | | Name: | 4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid | | Formula: | C20 H21 N3 O5 S | | SMILES: | O=C(O)C=1COCCC=1C(=O)Nc1sc2CCCCc2c1c1nc(no1)C1CC1 | | InChi: | InChI=1S/C20H21N3O5S/c24-17(11-7-8-27-9-13(11)20(25)26)22-19-15(12-3-1-2-4-14(12)29-19)18-21-16(23-28-18)10-5-6-10/h10H,1-9H2,(H,22,24)(H,25,26) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid |
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 | | MQF | | Name: | 5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid | | Formula: | C15 H15 F6 N O3 | | SMILES: | FC(F)(F)c1nc(OCC(F)(F)F)c(cc1C(=O)O)C1CCCCC1 | | InChi: | InChI=1S/C15H15F6NO3/c16-14(17,18)7-25-12-9(8-4-2-1-3-5-8)6-10(13(23)24)11(22-12)15(19,20)21/h6,8H,1-5,7H2,(H,23,24) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid |
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 | | 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 |
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 | | Q0O | | Name: | (6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one | | Formula: | C19 H14 O3 | | SMILES: | O=C1C=C(O)CC(/C=C2c3ccccc3c3ccccc23)O1 | | InChi: | InChI=1S/C19H14O3/c20-12-9-13(22-19(21)10-12)11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,10-11,13,20H,9H2/t13-/m0/s1 | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one |
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 | | R80 | | Name: | (5S)-6-[(3,4-dichlorophenyl)methyl]-5-methyl-1lambda~6~,2,6-thiadiazinane-1,1,3-trione | | Formula: | C11 H12 Cl2 N2 O3 S | | SMILES: | O=C1CC(C)N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)N1 | | InChi: | InChI=1S/C11H12Cl2N2O3S/c1-7-4-11(16)14-19(17,18)15(7)6-8-2-3-9(12)10(13)5-8/h2-3,5,7H,4,6H2,1H3,(H,14,16)/t7-/m0/s1 | | Definition date: | 2023-05-08 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (5S)-6-[(3,4-dichlorophenyl)methyl]-5-methyl-1lambda~6~,2,6-thiadiazinane-1,1,3-trione |
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 | | QG0 | | Name: | 5-[(2-chloroanilino)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol | | Formula: | C11 H13 Cl N4 S | | SMILES: | Sc1nnc(CNc2ccccc2Cl)n1CC | | InChi: | InChI=1S/C11H13ClN4S/c1-2-16-10(14-15-11(16)17)7-13-9-6-4-3-5-8(9)12/h3-6,13H,2,7H2,1H3,(H,15,17) | | Definition date: | 2023-05-08 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5-[(2-chloroanilino)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol |
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 | | 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 |
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 | | LWU | | Name: | 1-(2-(2-((6-(dihydroxymethyl)-2-phenylpyrimidin-4-yl)methylene)hydrazineyl)-2-oxoethyl)pyridin-1-ium | | Formula: | C19 H20 N5 O3 | | SMILES: | OC(O)c1cc(CNNC(=O)C[n+]2ccccc2)nc(n1)c3ccccc3 | | InChi: | InChI=1S/C19H19N5O3/c25-17(13-24-9-5-2-6-10-24)23-20-12-15-11-16(19(26)27)22-18(21-15)14-7-3-1-4-8-14/h1-11,19-20,26-27H,12-13H2/p+1 | | Synonyms: | ~{N}'-[[6-[bis(oxidanyl)methyl]-2-phenyl-pyrimidin-4-yl]methyl]-2-pyridin-1-yl-ethanehydrazide | | Definition date: | 2022-07-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | ~{N}'-[[6-[bis(oxidanyl)methyl]-2-phenyl-pyrimidin-4-yl]methyl]-2-pyridin-1-ium-1-yl-ethanehydrazide |
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 | | Q1I | | Name: | (3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine | | Formula: | C22 H28 N6 | | SMILES: | CC(C)N(C)c1nc(C2CCCC2)c(C)c(c1c1nnn[NH]1)c1ccccc1 | | InChi: | InChI=1S/C22H28N6/c1-14(2)28(4)22-19(21-24-26-27-25-21)18(16-10-6-5-7-11-16)15(3)20(23-22)17-12-8-9-13-17/h5-7,10-11,14,17H,8-9,12-13H2,1-4H3,(H,24,25,26,27) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine |
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 | | 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 |
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 | | TB3 | | Name: | (2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid | | Formula: | C10 H7 Br Cl N O3 | | SMILES: | Brc1cc(Cl)c(NC(=O)C=C/C(=O)O)cc1 | | InChi: | InChI=1S/C10H7BrClNO3/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)/b4-3- | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid |
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 | | R9C | | Name: | [(1S)-9-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid | | Formula: | C22 H23 N O2 | | SMILES: | O=C(O)CC1CCCc2c3cc(C)ccc3n(Cc3ccccc3)c21 | | InChi: | InChI=1S/C22H23NO2/c1-15-10-11-20-19(12-15)18-9-5-8-17(13-21(24)25)22(18)23(20)14-16-6-3-2-4-7-16/h2-4,6-7,10-12,17H,5,8-9,13-14H2,1H3,(H,24,25)/t17-/m0/s1 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | [(1S)-9-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid |
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 | | Q29 | | Name: | (1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid | | Formula: | C14 H16 Cl2 O3 | | SMILES: | O=C(O)C1CCCCC1COc1ccc(Cl)c(Cl)c1 | | InChi: | InChI=1S/C14H16Cl2O3/c15-12-6-5-10(7-13(12)16)19-8-9-3-1-2-4-11(9)14(17)18/h5-7,9,11H,1-4,8H2,(H,17,18)/t9-,11-/m1/s1 | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid |
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 | | R9O | | Name: | 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid | | Formula: | C11 H8 Cl N O3 S | | SMILES: | O=C(O)c1csc(COc2ccccc2Cl)n1 | | InChi: | InChI=1S/C11H8ClNO3S/c12-7-3-1-2-4-9(7)16-5-10-13-8(6-17-10)11(14)15/h1-4,6H,5H2,(H,14,15) | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid |
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