 | | WKN | | Name: | 3-[(4-methyl-3-phenoxyphenyl)methyl]-1H-pyrazol-5-ol | | Formula: | C17 H16 N2 O2 | | SMILES: | Cc1ccc(cc1Oc1ccccc1)Cc1cc(O)[NH]n1 | | InChi: | InChI=1S/C17H16N2O2/c1-12-7-8-13(9-14-11-17(20)19-18-14)10-16(12)21-15-5-3-2-4-6-15/h2-8,10-11H,9H2,1H3,(H2,18,19,20) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 3-[(4-methyl-3-phenoxyphenyl)methyl]-1H-pyrazol-5-ol |
|
 | | WKR | | Name: | 4-(tert-butylsulfanyl)-6-phenyl-1,3,5-triazine-2(5H)-thione | | Formula: | C13 H15 N3 S2 | | SMILES: | CC(C)(C)SC1=NC(=S)N=C(N1)c1ccccc1 | | InChi: | InChI=1S/C13H15N3S2/c1-13(2,3)18-12-15-10(14-11(17)16-12)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15,16,17) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 4-(tert-butylsulfanyl)-6-phenyl-1,3,5-triazine-2(5H)-thione |
|
 | | WKW | | Name: | 2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid | | Formula: | C19 H21 N3 O4 S | | SMILES: | O=C(Nc1sc(C)c(C)c1c1nc(no1)C1CC1)C=1CCCCC=1C(=O)O | | InChi: | InChI=1S/C19H21N3O4S/c1-9-10(2)27-18(14(9)17-20-15(22-26-17)11-7-8-11)21-16(23)12-5-3-4-6-13(12)19(24)25/h11H,3-8H2,1-2H3,(H,21,23)(H,24,25) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid |
|
 | | WL0 | | Name: | 3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid | | Formula: | C11 H12 N2 O3 S4 | | SMILES: | S=C1SC(=NN1c1ccccc1)SCCCS(=O)(=O)O | | InChi: | InChI=1S/C11H12N2O3S4/c14-20(15,16)8-4-7-18-10-12-13(11(17)19-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,15,16) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid |
|
 | | WL6 | | Name: | 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid | | Formula: | C12 H11 Cl N2 O3 | | SMILES: | O=C(O)CCCc1nc(no1)c1ccc(Cl)cc1 | | InChi: | InChI=1S/C12H11ClN2O3/c13-9-6-4-8(5-7-9)12-14-10(18-15-12)2-1-3-11(16)17/h4-7H,1-3H2,(H,16,17) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid |
|
 | | WLB | | Name: | 2,3-bis(benzyloxy)benzoic acid | | Formula: | C21 H18 O4 | | SMILES: | O=C(O)c1cccc(OCc2ccccc2)c1OCc1ccccc1 | | InChi: | InChI=1S/C21H18O4/c22-21(23)18-12-7-13-19(24-14-16-8-3-1-4-9-16)20(18)25-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2,3-bis(benzyloxy)benzoic acid |
|
 | | WLF | | Name: | 1-{[4-chloro-2-(trifluoromethyl)phenyl]carbamamido}cyclopentane-1-carboxylic acid | | Formula: | C14 H14 Cl F3 N2 O3 | | SMILES: | O=C(NC1(CCCC1)C(=O)O)Nc1ccc(Cl)cc1C(F)(F)F | | InChi: | InChI=1S/C14H14ClF3N2O3/c15-8-3-4-10(9(7-8)14(16,17)18)19-12(23)20-13(11(21)22)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,21,22)(H2,19,20,23) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 1-{[4-chloro-2-(trifluoromethyl)phenyl]carbamamido}cyclopentane-1-carboxylic acid |
|
 | | WLN | | Name: | 5-[(3-chlorophenyl)methyl]-6-hydroxy-1-methyl-4-(morpholin-4-yl)pyrimidin-2(1H)-one | | Formula: | C16 H18 Cl N3 O3 | | SMILES: | Clc1cccc(c1)CC=1C(=NC(=O)N(C)C=1O)N1CCOCC1 | | InChi: | InChI=1S/C16H18ClN3O3/c1-19-15(21)13(10-11-3-2-4-12(17)9-11)14(18-16(19)22)20-5-7-23-8-6-20/h2-4,9,21H,5-8,10H2,1H3 | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5-[(3-chlorophenyl)methyl]-6-hydroxy-1-methyl-4-(morpholin-4-yl)pyrimidin-2(1H)-one |
|
 | | WLR | | Name: | (1S,2R)-2-{[3-(trifluoromethyl)phenoxy]methyl}cyclohexane-1-carboxylic acid | | Formula: | C15 H17 F3 O3 | | SMILES: | FC(F)(F)c1cc(OCC2CCCCC2C(=O)O)ccc1 | | InChi: | InChI=1S/C15H17F3O3/c16-15(17,18)11-5-3-6-12(8-11)21-9-10-4-1-2-7-13(10)14(19)20/h3,5-6,8,10,13H,1-2,4,7,9H2,(H,19,20)/t10-,13-/m0/s1 | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (1S,2R)-2-{[3-(trifluoromethyl)phenoxy]methyl}cyclohexane-1-carboxylic acid |
|
 | | WLX | | Name: | isoquinolin-3-amine | | Formula: | C9 H8 N2 | | SMILES: | Nc1cc2ccccc2cn1 | | InChi: | InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | isoquinolin-3-amine |
|
 | | WM5 | | Name: | 2-(2-methoxyanilino)benzoic acid | | Formula: | C14 H13 N O3 | | SMILES: | COc1ccccc1Nc1ccccc1C(=O)O | | InChi: | InChI=1S/C14H13NO3/c1-18-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)14(16)17/h2-9,15H,1H3,(H,16,17) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-(2-methoxyanilino)benzoic acid |
|
 | | WMB | | Name: | 5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid | | Formula: | C20 H21 N3 O5 S | | SMILES: | O=C(O)C=1CCOCC=1C(=O)Nc1sc2CCCCc2c1c1nc(no1)C1CC1 | | InChi: | InChI=1S/C20H21N3O5S/c24-17(13-9-27-8-7-11(13)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: | 5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid |
|
 | | WMF | | Name: | 4-hydroxy-1-[(2-phenoxyphenyl)methyl]pyridin-2(1H)-one | | Formula: | C18 H15 N O3 | | SMILES: | OC=1C=CN(Cc2ccccc2Oc2ccccc2)C(=O)C=1 | | InChi: | InChI=1S/C18H15NO3/c20-15-10-11-19(18(21)12-15)13-14-6-4-5-9-17(14)22-16-7-2-1-3-8-16/h1-12,20H,13H2 | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 4-hydroxy-1-[(2-phenoxyphenyl)methyl]pyridin-2(1H)-one |
|
 | | 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 |
|
 | | WML | | Name: | (3S,4R)-6-bromo-3-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid | | Formula: | C16 H20 Br N O3 | | SMILES: | O=C(O)C1c2cc(Br)ccc2NC(=O)C1CCCCCC | | InChi: | InChI=1S/C16H20BrNO3/c1-2-3-4-5-6-11-14(16(20)21)12-9-10(17)7-8-13(12)18-15(11)19/h7-9,11,14H,2-6H2,1H3,(H,18,19)(H,20,21)/t11-,14+/m0/s1 | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (3S,4R)-6-bromo-3-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid |
|
 | | WMQ | | Name: | 2-{[(1H-indol-7-yl)oxy]methyl}-1,3-thiazole-4-carboxylic acid | | Formula: | C13 H10 N2 O3 S | | SMILES: | O=C(O)c1csc(COc2cccc3cc[NH]c23)n1 | | InChi: | InChI=1S/C13H10N2O3S/c16-13(17)9-7-19-11(15-9)6-18-10-3-1-2-8-4-5-14-12(8)10/h1-5,7,14H,6H2,(H,16,17) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-{[(1H-indol-7-yl)oxy]methyl}-1,3-thiazole-4-carboxylic acid |
|
 | | WMW | | Name: | (2S)-4-(4-chloro-3-fluorophenoxy)-2-(3,4-dichlorophenyl)-2-methylbutanoic acid | | Formula: | C17 H14 Cl3 F O3 | | SMILES: | Clc1ccc(cc1Cl)C(C)(CCOc1ccc(Cl)c(F)c1)C(=O)O | | InChi: | InChI=1S/C17H14Cl3FO3/c1-17(16(22)23,10-2-4-12(18)14(20)8-10)6-7-24-11-3-5-13(19)15(21)9-11/h2-5,8-9H,6-7H2,1H3,(H,22,23)/t17-/m0/s1 | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2S)-4-(4-chloro-3-fluorophenoxy)-2-(3,4-dichlorophenyl)-2-methylbutanoic acid |
|
 | | WN0 | | Name: | 5-[2-(1H-tetrazol-5-yl)ethyl]-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole | | Formula: | C17 H21 N5 | | SMILES: | C(Cc1nnn[NH]1)n1c2CCCCCCc2c2ccccc12 | | InChi: | InChI=1S/C17H21N5/c1-2-4-9-15-13(7-3-1)14-8-5-6-10-16(14)22(15)12-11-17-18-20-21-19-17/h5-6,8,10H,1-4,7,9,11-12H2,(H,18,19,20,21) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5-[2-(1H-tetrazol-5-yl)ethyl]-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole |
|
 | | WN5 | | Name: | (3M)-2-{[(3S)-oxolan-3-yl]oxy}-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine | | Formula: | C21 H23 N5 O2 | | SMILES: | n1c2CCCCCc2c(c2ccccc2)c(c1OC1CCOC1)c1nnn[NH]1 | | InChi: | InChI=1S/C21H23N5O2/c1-3-7-14(8-4-1)18-16-9-5-2-6-10-17(16)22-21(28-15-11-12-27-13-15)19(18)20-23-25-26-24-20/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,23,24,25,26)/t15-/m0/s1 | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (3M)-2-{[(3S)-oxolan-3-yl]oxy}-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine |
|
 | | WNB | | Name: | (1S,2S)-2-{1-[(3-chlorophenyl)methyl]-1H-indol-2-yl}cyclopropane-1-carboxylic acid | | Formula: | C19 H16 Cl N O2 | | SMILES: | O=C(O)C1CC1c1cc2ccccc2n1Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C19H16ClNO2/c20-14-6-3-4-12(8-14)11-21-17-7-2-1-5-13(17)9-18(21)15-10-16(15)19(22)23/h1-9,15-16H,10-11H2,(H,22,23)/t15-,16-/m0/s1 | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (1S,2S)-2-{1-[(3-chlorophenyl)methyl]-1H-indol-2-yl}cyclopropane-1-carboxylic acid |
|
 | | WNF | | Name: | (1S,2R)-2-[(3-methylphenoxy)methyl]cyclohexane-1-carboxylic acid | | Formula: | C15 H20 O3 | | SMILES: | O=C(O)C1CCCCC1COc1cc(C)ccc1 | | InChi: | InChI=1S/C15H20O3/c1-11-5-4-7-13(9-11)18-10-12-6-2-3-8-14(12)15(16)17/h4-5,7,9,12,14H,2-3,6,8,10H2,1H3,(H,16,17)/t12-,14-/m0/s1 | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (1S,2R)-2-[(3-methylphenoxy)methyl]cyclohexane-1-carboxylic acid |
|
 | | UUX | | Name: | (2R,3S,4S)-6-benzyl-2-tert-butyl-5-methyl-4-phenyl-3-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydropyridine | | Formula: | C24 H29 N5 | | SMILES: | CC(C)(C)C1NC(Cc2ccccc2)=C(C)C(C1c1nnn[NH]1)c1ccccc1 | | InChi: | InChI=1S/C24H29N5/c1-16-19(15-17-11-7-5-8-12-17)25-22(24(2,3)4)21(23-26-28-29-27-23)20(16)18-13-9-6-10-14-18/h5-14,20-22,25H,15H2,1-4H3,(H,26,27,28,29)/t20-,21+,22-/m1/s1 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2R,3S,4S)-6-benzyl-2-tert-butyl-5-methyl-4-phenyl-3-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydropyridine |
|
 | | 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 |
|
 | | WNL | | Name: | (6M)-5-ethyl-6-(3-methoxyphenyl)-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one | | Formula: | C14 H16 N2 O2 S | | SMILES: | S=C1NC(c2cccc(OC)c2)=C(CC)C(=O)N1C | | InChi: | InChI=1S/C14H16N2O2S/c1-4-11-12(15-14(19)16(2)13(11)17)9-6-5-7-10(8-9)18-3/h5-8H,4H2,1-3H3,(H,15,19) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (6M)-5-ethyl-6-(3-methoxyphenyl)-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
|
 | | UV3 | | Name: | 7-bromo-L-tryptophan | | Formula: | C11 H11 Br N2 O2 | | SMILES: | N[CH](Cc1c[nH]c2c(Br)cccc12)C(O)=O | | InChi: | InChI=1S/C11H11BrN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1 | | Definition date: | 2023-02-14 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2~{S})-2-azanyl-3-(7-bromanyl-1~{H}-indol-3-yl)propanoic acid |
|
