 | | VMN | | Name: | 1-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2(1H)-one | | Formula: | C12 H10 Cl N O2 | | SMILES: | Clc1ccc(cc1)CN1C=CC(O)=CC1=O | | InChi: | InChI=1S/C12H10ClNO2/c13-10-3-1-9(2-4-10)8-14-6-5-11(15)7-12(14)16/h1-7,15H,8H2 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 1-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2(1H)-one |
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 | | WHN | | Name: | 4-hydroxy-6-[2-(naphthalen-1-yl)ethyl]-2H-pyran-2-one | | Formula: | C17 H14 O3 | | SMILES: | OC=1C=C(CCc2cccc3ccccc32)OC(=O)C=1 | | InChi: | InChI=1S/C17H14O3/c18-14-10-15(20-17(19)11-14)9-8-13-6-3-5-12-4-1-2-7-16(12)13/h1-7,10-11,18H,8-9H2 | | Definition date: | 2023-05-12 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 4-hydroxy-6-[2-(naphthalen-1-yl)ethyl]-2H-pyran-2-one |
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 | | 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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 | | 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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 | | 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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 | | 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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 | | WHZ | | Name: | (1R,2S)-2-(3,4-dichlorobenzamido)cyclohexane-1-carboxylic acid | | Formula: | C14 H15 Cl2 N O3 | | SMILES: | O=C(NC1CCCCC1C(=O)O)c1ccc(Cl)c(Cl)c1 | | InChi: | InChI=1S/C14H15Cl2NO3/c15-10-6-5-8(7-11(10)16)13(18)17-12-4-2-1-3-9(12)14(19)20/h5-7,9,12H,1-4H2,(H,17,18)(H,19,20)/t9-,12+/m1/s1 | | Definition date: | 2023-05-12 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (1R,2S)-2-(3,4-dichlorobenzamido)cyclohexane-1-carboxylic acid |
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 | | VN5 | | Name: | ~{N}'-[2-[1-(4-methoxyphenyl)cyclopropyl]-7-(4-methylpiperazin-1-yl)quinazolin-4-yl]ethane-1,2-diamine | | Formula: | C25 H32 N6 O | | SMILES: | COc1ccc(cc1)C2(CC2)c3nc(NCCN)c4ccc(cc4n3)N5CCN(C)CC5 | | InChi: | InChI=1S/C25H32N6O/c1-30-13-15-31(16-14-30)19-5-8-21-22(17-19)28-24(29-23(21)27-12-11-26)25(9-10-25)18-3-6-20(32-2)7-4-18/h3-8,17H,9-16,26H2,1-2H3,(H,27,28,29) | | Definition date: | 2023-03-20 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | ~{N}'-[2-[1-(4-methoxyphenyl)cyclopropyl]-7-(4-methylpiperazin-1-yl)quinazolin-4-yl]ethane-1,2-diamine |
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 | | WXZ | | Name: | (1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid | | Formula: | C17 H15 Cl O2 | | SMILES: | Clc1ccc(cc1)c1ccc2CCCC(c2c1)C(=O)O | | InChi: | InChI=1S/C17H15ClO2/c18-14-8-6-11(7-9-14)13-5-4-12-2-1-3-15(17(19)20)16(12)10-13/h4-10,15H,1-3H2,(H,19,20)/t15-/m1/s1 | | Definition date: | 2023-05-23 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid |
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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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 | | 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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 | | 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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 | | 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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 | | WYO | | Name: | (1S,2R)-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-/m0/s1 | | Definition date: | 2023-05-23 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (1S,2R)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-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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 | | SUX | | Name: | (3P)-2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine | | Formula: | C21 H23 N5 O | | SMILES: | C1CCCCc2c1nc(C1CCCO1)c(c1nnn[NH]1)c2c1ccccc1 | | InChi: | InChI=1S/C21H23N5O/c1-3-8-14(9-4-1)18-15-10-5-2-6-11-16(15)22-20(17-12-7-13-27-17)19(18)21-23-25-26-24-21/h1,3-4,8-9,17H,2,5-7,10-13H2,(H,23,24,25,26)/t17-/m0/s1 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (3P)-2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine |
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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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 | | WZ8 | | Name: | 2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine | | Formula: | C23 H28 N8 O | | SMILES: | CC(C)c1cnn2c(NCc3ccccc3n4cccn4)nc(O[CH]5CCCNC5)nc12 | | InChi: | InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)/t18-/m1/s1 | | Definition date: | 2023-05-24 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-[(3~{R})-piperidin-3-yl]oxy-8-propan-2-yl-~{N}-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine |
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 | | YHZ | | Name: | 1-[(4-aminopyrimidin-5-yl)amino]-2,5-anhydro-1-deoxy-6-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]-D-allitol | | Formula: | C11 H21 N4 O12 P3 | | SMILES: | O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC1OC(CNc2cncnc2N)C(O)C1O | | InChi: | InChI=1S/C11H21N4O12P3/c12-11-6(1-13-4-15-11)14-2-7-9(16)10(17)8(26-7)3-25-30(23,24)27-29(21,22)5-28(18,19)20/h1,4,7-10,14,16-17H,2-3,5H2,(H,21,22)(H,23,24)(H2,12,13,15)(H2,18,19,20)/t7-,8+,9-,10+/m0/s1 | | Definition date: | 2023-02-03 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 1-[(4-aminopyrimidin-5-yl)amino]-2,5-anhydro-1-deoxy-6-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]-D-allitol |
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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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 | | WJQ | | Name: | (5s,8s)-8-(3-bromophenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione | | Formula: | C12 H10 Br N O4 S | | SMILES: | Brc1cccc(c1)C1OCC2(CO1)SC(=O)NC2=O | | InChi: | InChI=1S/C12H10BrNO4S/c13-8-3-1-2-7(4-8)9-17-5-12(6-18-9)10(15)14-11(16)19-12/h1-4,9H,5-6H2,(H,14,15,16)/t9-,12+ | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (5s,8s)-8-(3-bromophenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione |
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 | | WJU | | Name: | (5M)-5-[6-chloro-4-phenyl-2-(piperidin-1-yl)quinolin-3-yl]-1,3,4-oxadiazol-2(3H)-one | | Formula: | C22 H19 Cl N4 O2 | | SMILES: | O=C1NN=C(O1)c1c(nc2ccc(Cl)cc2c1c1ccccc1)N1CCCCC1 | | InChi: | InChI=1S/C22H19ClN4O2/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(28)29-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,28) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (5M)-5-[6-chloro-4-phenyl-2-(piperidin-1-yl)quinolin-3-yl]-1,3,4-oxadiazol-2(3H)-one |
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 | | WK0 | | Name: | (4S,5S)-7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid | | Formula: | C18 H18 Br N O2 | | SMILES: | O=C(O)C1CCN(C)c2ccc(Br)cc2C1c1ccccc1 | | InChi: | InChI=1S/C18H18BrNO2/c1-20-10-9-14(18(21)22)17(12-5-3-2-4-6-12)15-11-13(19)7-8-16(15)20/h2-8,11,14,17H,9-10H2,1H3,(H,21,22)/t14-,17+/m0/s1 | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (4S,5S)-7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid |
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 | | KCV | | Name: | 5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol | | Formula: | C12 H12 Cl N3 O S | | SMILES: | Sc1nnc(COc2ccc(Cl)cc2)n1CC=C | | InChi: | InChI=1S/C12H12ClN3OS/c1-2-7-16-11(14-15-12(16)18)8-17-10-5-3-9(13)4-6-10/h2-6H,1,7-8H2,(H,15,18) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
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 | | WK9 | | Name: | (1R,2S)-2-{[(2M)-4'-(methoxycarbonyl)-4,5-dihydro-2'H,3H-[2,3'-bi-1lambda~4~-thiophen]-5'-yl]carbamoyl}cyclohexane-1-carboxylic acid | | Formula: | C18 H25 N O5 S2 | | SMILES: | O=C(O)C1CCCCC1C(=O)NC1=SCC(C2=SCCC2)=C1C(=O)OC | | InChi: | InChI=1S/C18H25NO5S2/c1-24-18(23)14-12(13-7-4-8-25-13)9-26-16(14)19-15(20)10-5-2-3-6-11(10)17(21)22/h10-11,25-26H,2-9H2,1H3,(H,19,20)(H,21,22)/t10-,11+/m0/s1 | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (1R,2S)-2-{[(2M)-4'-(methoxycarbonyl)-4,5-dihydro-2'H,3H-[2,3'-bi-1lambda~4~-thiophen]-5'-yl]carbamoyl}cyclohexane-1-carboxylic acid |
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