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W7Z
W7Z
Name:(8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Formula:C19 H15 Cl N4 O2
SMILES:Clc1cccc(OCC2=CC(=O)n3nc(nc3N2)c2ccccc2)c1C
InChi:InChI=1S/C19H15ClN4O2/c1-12-15(20)8-5-9-16(12)26-11-14-10-17(25)24-19(21-14)22-18(23-24)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,21,22,23)
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
W8C
W8C
Name:5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Formula:C12 H13 N3 O S
SMILES:C=CCn1c(S)nnc1OCc1ccccc1
InChi:InChI=1S/C12H13N3OS/c1-2-8-15-11(13-14-12(15)17)16-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,17)
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
W8H
W8H
Name:(2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid
Formula:C19 H21 Cl O2 S2
SMILES:Clc1ccc(SCCCCC(Sc2ccc(C)cc2)C(=O)O)cc1
InChi:InChI=1S/C19H21ClO2S2/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:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid
W8N
W8N
Name:5-(3-bromo-4-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid
Formula:C14 H17 Br O3
SMILES:Cc1ccc(cc1Br)C(=O)CC(C)(C)CC(=O)O
InChi:InChI=1S/C14H17BrO3/c1-9-4-5-10(6-11(9)15)12(16)7-14(2,3)8-13(17)18/h4-6H,7-8H2,1-3H3,(H,17,18)
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:5-(3-bromo-4-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid
W8T
W8T
Name:(2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-3-carboxylic acid
Formula:C18 H19 N O3
SMILES:O=C(O)C1CCN(c2ccccc2)C1COc1ccccc1
InChi:InChI=1S/C18H19NO3/c20-18(21)16-11-12-19(14-7-3-1-4-8-14)17(16)13-22-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,21)/t16-,17-/m0/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-3-carboxylic acid
W90
W90
Name:5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid
Formula:C13 H15 Cl2 N O3
SMILES:Clc1cc(NC(=O)CC(C)(C)CC(=O)O)cc(Cl)c1
InChi:InChI=1S/C13H15Cl2NO3/c1-13(2,7-12(18)19)6-11(17)16-10-4-8(14)3-9(15)5-10/h3-5H,6-7H2,1-2H3,(H,16,17)(H,18,19)
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid
W95
W95
Name:(1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid
Formula:C15 H24 O4
SMILES:O=C(OC1CC(C)CCC1C(C)C)C1CC1C(=O)O
InChi:InChI=1S/C15H24O4/c1-8(2)10-5-4-9(3)6-13(10)19-15(18)12-7-11(12)14(16)17/h8-13H,4-7H2,1-3H3,(H,16,17)/t9-,10+,11+,12+,13-/m1/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid
W9B
W9B
Name:(2R)-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid
Formula:C17 H23 F3 O4
SMILES:OC(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)(C(=O)O)C(F)(F)F
InChi:InChI=1S/C17H23F3O4/c1-14(2,3)9-7-10(15(4,5)6)12(21)11(8-9)16(24,13(22)23)17(18,19)20/h7-8,21,24H,1-6H3,(H,22,23)/t16-/m1/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(2R)-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid
W9F
W9F
Name:5-(3,4-dichlorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Formula:C11 H8 Cl2 N2 O2 S
SMILES:CC1(C(=O)NC(=S)NC1=O)c1ccc(Cl)c(Cl)c1
InChi:InChI=1S/C11H8Cl2N2O2S/c1-11(5-2-3-6(12)7(13)4-5)8(16)14-10(18)15-9(11)17/h2-4H,1H3,(H2,14,15,16,17,18)
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:5-(3,4-dichlorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
W9K
W9K
Name:(5R)-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione
Formula:C13 H11 N O3 S2
SMILES:Oc1ccc(cc1)C1=CC2(CCS1)SC(=O)NC2=O
InChi:InChI=1S/C13H11NO3S2/c15-9-3-1-8(2-4-9)10-7-13(5-6-18-10)11(16)14-12(17)19-13/h1-4,7,15H,5-6H2,(H,14,16,17)/t13-/m1/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(5R)-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione
W9Q
W9Q
Name:(3aR,4R,5R,6S,7R,7aR)-3-(4-chlorophenyl)-6-methyl-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole-5-carboxylic acid
Formula:C16 H16 Cl N O3
SMILES:O=C(O)C1C2CC(C1C)C1ON=C(C21)c1ccc(Cl)cc1
InChi:InChI=1S/C16H16ClNO3/c1-7-10-6-11(12(7)16(19)20)13-14(18-21-15(10)13)8-2-4-9(17)5-3-8/h2-5,7,10-13,15H,6H2,1H3,(H,19,20)/t7-,10+,11-,12+,13+,15+/m0/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(3aR,4R,5R,6S,7R,7aR)-3-(4-chlorophenyl)-6-methyl-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole-5-carboxylic acid
W9W
W9W
Name:2-{[(4R)-4-phenyl-3,4-dihydro-2H-1lambda~4~-thiophen-5-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Formula:C17 H19 N O3 S
SMILES:O=C(O)C=1CCCC=1C(=O)NC1=SCCC1c1ccccc1
InChi:InChI=1S/C17H19NO3S/c19-15(13-7-4-8-14(13)17(20)21)18-16-12(9-10-22-16)11-5-2-1-3-6-11/h1-3,5-6,12,22H,4,7-10H2,(H,18,19)(H,20,21)/t12-/m1/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:2-{[(4R)-4-phenyl-3,4-dihydro-2H-1lambda~4~-thiophen-5-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
WA4
WA4
Name:5,7-bis[(trifluoromethyl)sulfanyl]quinolin-8-ol
Formula:C11 H5 F6 N O S2
SMILES:FC(F)(F)Sc1cc(SC(F)(F)F)c2cccnc2c1O
InChi:InChI=1S/C11H5F6NOS2/c12-10(13,14)20-6-4-7(21-11(15,16)17)9(19)8-5(6)2-1-3-18-8/h1-4,19H
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:5,7-bis[(trifluoromethyl)sulfanyl]quinolin-8-ol
WA9
WA9
Name:(2R)-{2,3-bis[(2-chlorophenyl)methoxy]phenyl}(methoxy)acetic acid
Formula:C23 H20 Cl2 O5
SMILES:Clc1ccccc1COc1cccc(C(OC)C(=O)O)c1OCc1ccccc1Cl
InChi:InChI=1S/C23H20Cl2O5/c1-28-22(23(26)27)17-9-6-12-20(29-13-15-7-2-4-10-18(15)24)21(17)30-14-16-8-3-5-11-19(16)25/h2-12,22H,13-14H2,1H3,(H,26,27)/t22-/m1/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(2R)-{2,3-bis[(2-chlorophenyl)methoxy]phenyl}(methoxy)acetic acid
WDE
WDE
Name:3-{[(E)-anilino(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]sulfanyl}propanoic acid
Formula:C18 H16 N2 O3 S
SMILES:O=C(O)CCSC(Nc1ccccc1)=C1/c2ccccc2NC1=O
InChi:InChI=1S/C18H16N2O3S/c21-15(22)10-11-24-18(19-12-6-2-1-3-7-12)16-13-8-4-5-9-14(13)20-17(16)23/h1-9,19H,10-11H2,(H,20,23)(H,21,22)/b18-16+
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:3-{[(E)-anilino(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]sulfanyl}propanoic acid
WDI
WDI
Name:(1S)-5-hydroxy-4'-(trifluoromethyl)-1,6-dihydro[1,1'-biphenyl]-3(2H)-one
Formula:C13 H11 F3 O2
SMILES:FC(F)(F)c1ccc(cc1)C1CC(O)=CC(=O)C1
InChi:InChI=1S/C13H11F3O2/c14-13(15,16)10-3-1-8(2-4-10)9-5-11(17)7-12(18)6-9/h1-4,7,9,17H,5-6H2/t9-/m0/s1
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(1S)-5-hydroxy-4'-(trifluoromethyl)-1,6-dihydro[1,1'-biphenyl]-3(2H)-one
WDO
WDO
Name:1-[bis(oxidanyl)-$l^{3}-sulfanyl]-4-(4-chloranylphenoxy)benzene
Formula:C12 H10 Cl O3 S
SMILES:Clc1ccc(Oc2ccc(cc2)[S+](O)O)cc1
InChi:InChI=1S/C12H10ClO3S/c13-9-1-3-10(4-2-9)16-11-5-7-12(8-6-11)17(14)15/h1-8,14-15H/q+1
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:[4-(4-chlorophenoxy)phenyl](dihydroxy)sulfanium
WE2
WE2
Name:6-(difluoromethyl)-5-(methoxycarbonyl)-4-(2-methylpropyl)-2-(trifluoromethyl)pyridine-3-carboxylic acid
Formula:C14 H14 F5 N O4
SMILES:FC(F)(F)c1nc(c(c(CC(C)C)c1C(=O)O)C(=O)OC)C(F)F
InChi:InChI=1S/C14H14F5NO4/c1-5(2)4-6-7(13(23)24-3)9(11(15)16)20-10(14(17,18)19)8(6)12(21)22/h5,11H,4H2,1-3H3,(H,21,22)
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:6-(difluoromethyl)-5-(methoxycarbonyl)-4-(2-methylpropyl)-2-(trifluoromethyl)pyridine-3-carboxylic acid
WE6
WE6
Name:1-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-D-proline
Formula:C19 H22 N4 O4 S
SMILES:O=C(O)C1CCCN1C(=O)Nc1sc2CCCCc2c1c1nc(no1)C1CC1
InChi:InChI=1S/C19H22N4O4S/c24-18(25)12-5-3-9-23(12)19(26)21-17-14(11-4-1-2-6-13(11)28-17)16-20-15(22-27-16)10-7-8-10/h10,12H,1-9H2,(H,21,26)(H,24,25)/t12-/m1/s1
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:1-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-D-proline
WEA
WEA
Name:(1S,2R)-2-(phenoxymethyl)cyclohexane-1-carboxylic acid
Formula:C14 H18 O3
SMILES:O=C(O)C1CCCCC1COc1ccccc1
InChi:InChI=1S/C14H18O3/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-3,7-8,11,13H,4-6,9-10H2,(H,15,16)/t11-,13-/m0/s1
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(1S,2R)-2-(phenoxymethyl)cyclohexane-1-carboxylic acid
WED
WED
Name:{(1R,2S)-2-[(2-chlorophenyl)methyl]-1-hydroxycyclohexyl}acetic acid
Formula:C15 H19 Cl O3
SMILES:OC1(CC(=O)O)CCCCC1Cc1ccccc1Cl
InChi:InChI=1S/C15H19ClO3/c16-13-7-2-1-5-11(13)9-12-6-3-4-8-15(12,19)10-14(17)18/h1-2,5,7,12,19H,3-4,6,8-10H2,(H,17,18)/t12-,15+/m0/s1
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:{(1R,2S)-2-[(2-chlorophenyl)methyl]-1-hydroxycyclohexyl}acetic acid
WEI
WEI
Name:thieno[2,3-d]pyrimidine-2,4-diamine
Formula:C6 H6 N4 S
SMILES:Nc1nc(N)nc2sccc12
InChi:InChI=1S/C6H6N4S/c7-4-3-1-2-11-5(3)10-6(8)9-4/h1-2H,(H4,7,8,9,10)
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:thieno[2,3-d]pyrimidine-2,4-diamine
WEN
WEN
Name:[5-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-4-yl]acetic acid
Formula:C13 H19 N O3
SMILES:O=C(O)Cc1nc(oc1C)C1(C)CCCCC1
InChi:InChI=1S/C13H19NO3/c1-9-10(8-11(15)16)14-12(17-9)13(2)6-4-3-5-7-13/h3-8H2,1-2H3,(H,15,16)
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:[5-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-4-yl]acetic acid
WER
WER
Name:(3M,6P)-N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine
Formula:C21 H22 N6 S
SMILES:Cc1ccsc1c1nc(N(C)C(C)C)c(c2nnn[NH]2)c(c1)c1ccccc1
InChi:InChI=1S/C21H22N6S/c1-13(2)27(4)21-18(20-23-25-26-24-20)16(15-8-6-5-7-9-15)12-17(22-21)19-14(3)10-11-28-19/h5-13H,1-4H3,(H,23,24,25,26)
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(3M,6P)-N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine
WFC
WFC
Name:(3aS,5R,6aS)-3-(4-chlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid
Formula:C13 H12 Cl N O3
SMILES:O=C(O)C1CC2C(C1)ON=C2c1ccc(Cl)cc1
InChi:InChI=1S/C13H12ClNO3/c14-9-3-1-7(2-4-9)12-10-5-8(13(16)17)6-11(10)18-15-12/h1-4,8,10-11H,5-6H2,(H,16,17)/t8-,10-,11+/m1/s1
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(3aS,5R,6aS)-3-(4-chlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid

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數據於2024-07-24公開中

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