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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
WFK
WFK
Name:(1R,3R,4S)-3-(4-chlorobenzoyl)-4-hydroxycyclopentane-1-carboxylic acid
Formula:C13 H13 Cl O4
SMILES:O=C(C1CC(CC1O)C(=O)O)c1ccc(Cl)cc1
InChi:InChI=1S/C13H13ClO4/c14-9-3-1-7(2-4-9)12(16)10-5-8(13(17)18)6-11(10)15/h1-4,8,10-11,15H,5-6H2,(H,17,18)/t8-,10-,11+/m1/s1
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(1R,3R,4S)-3-(4-chlorobenzoyl)-4-hydroxycyclopentane-1-carboxylic acid
WFO
WFO
Name:(2R)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid
Formula:C17 H16 N2 O3 S
SMILES:O=C(O)C(CC)N1C=Nc2sc(C)c(c2C1=O)c1ccccc1
InChi:InChI=1S/C17H16N2O3S/c1-3-12(17(21)22)19-9-18-15-14(16(19)20)13(10(2)23-15)11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3,(H,21,22)/t12-/m1/s1
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(2R)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid
WFX
WFX
Name:4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid
Formula:C20 H19 F2 N3 O5 S
SMILES:O=C(O)C=1COCCC=1C(=O)Nc1sc2CC(F)(F)CCc2c1c1nc(no1)C1CC1
InChi:InChI=1S/C20H19F2N3O5S/c21-20(22)5-3-11-13(7-20)31-18(14(11)17-23-15(25-30-17)9-1-2-9)24-16(26)10-4-6-29-8-12(10)19(27)28/h9H,1-8H2,(H,24,26)(H,27,28)
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid
WG3
WG3
Name:2-{[(2M)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Formula:C18 H17 N3 O4
SMILES:O=C(O)C=1CCCC=1C(=O)Nc1ccccc1c1nc(no1)C1CC1
InChi:InChI=1S/C18H17N3O4/c22-16(11-5-3-6-12(11)18(23)24)19-14-7-2-1-4-13(14)17-20-15(21-25-17)10-8-9-10/h1-2,4,7,10H,3,5-6,8-9H2,(H,19,22)(H,23,24)
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:2-{[(2M)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
WGL
WGL
Name:1-cyclohexyl-2-(ethylsulfanyl)pyrimidine-4,6(1H,5H)-dione
Formula:C12 H18 N2 O2 S
SMILES:CCSC1=NC(=O)CC(=O)N1C1CCCCC1
InChi:InChI=1S/C12H18N2O2S/c1-2-17-12-13-10(15)8-11(16)14(12)9-6-4-3-5-7-9/h9H,2-8H2,1H3
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:1-cyclohexyl-2-(ethylsulfanyl)pyrimidine-4,6(1H,5H)-dione
WGQ
WGQ
Name:(5P)-5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Formula:C11 H10 Cl N3 S
SMILES:Clc1cccc(c1)C1=NNC(=S)N1CC=C
InChi:InChI=1S/C11H10ClN3S/c1-2-6-15-10(13-14-11(15)16)8-4-3-5-9(12)7-8/h2-5,7H,1,6H2,(H,14,16)
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(5P)-5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
WGW
WGW
Name:N-(2,4-dichlorophenyl)-2-(2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-yl)acetamide
Formula:C12 H9 Cl2 N3 O3
SMILES:O=C1N=C(CC(=O)Nc2ccc(Cl)cc2Cl)CC(=O)N1
InChi:InChI=1S/C12H9Cl2N3O3/c13-6-1-2-9(8(14)3-6)16-10(18)4-7-5-11(19)17-12(20)15-7/h1-3H,4-5H2,(H,16,18)(H,17,19,20)
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:N-(2,4-dichlorophenyl)-2-(2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-yl)acetamide
WH3
WH3
Name:(3aR,6S,7R,7aS)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Formula:C17 H17 N O4
SMILES:O=C(O)C1C2C(=O)N(CC32C=CC1O3)CCc1ccccc1
InChi:InChI=1S/C17H17NO4/c19-15-14-13(16(20)21)12-6-8-17(14,22-12)10-18(15)9-7-11-4-2-1-3-5-11/h1-6,8,12-14H,7,9-10H2,(H,20,21)/t12-,13-,14+,17-/m0/s1
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(3aR,6S,7R,7aS)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
WHB
WHB
Name:(1R,2S,5S)-3-[(thiophen-3-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
Formula:C12 H13 N O3 S
SMILES:O=C(Cc1ccsc1)N1CC2CC2C1C(=O)O
InChi:InChI=1S/C12H13NO3S/c14-10(3-7-1-2-17-6-7)13-5-8-4-9(8)11(13)12(15)16/h1-2,6,8-9,11H,3-5H2,(H,15,16)/t8-,9+,11-/m1/s1
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(1R,2S,5S)-3-[(thiophen-3-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
WHI
WHI
Name:6-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Formula:C12 H11 Cl N2 O S2
SMILES:S=C1NC(CSCc2ccc(Cl)cc2)=CC(=O)N1
InChi:InChI=1S/C12H11ClN2OS2/c13-9-3-1-8(2-4-9)6-18-7-10-5-11(16)15-12(17)14-10/h1-5H,6-7H2,(H2,14,15,16,17)
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:6-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
WHN
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
WHR
WHR
Name:6-chloro-4-[(2-chlorophenyl)methyl]-2-methylquinoline-3-carboxylic acid
Formula:C18 H13 Cl2 N O2
SMILES:Clc1ccccc1Cc1c2cc(Cl)ccc2nc(C)c1C(=O)O
InChi:InChI=1S/C18H13Cl2NO2/c1-10-17(18(22)23)14(8-11-4-2-3-5-15(11)20)13-9-12(19)6-7-16(13)21-10/h2-7,9H,8H2,1H3,(H,22,23)
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:6-chloro-4-[(2-chlorophenyl)methyl]-2-methylquinoline-3-carboxylic acid
WI8
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
WIC
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
WIF
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
WII
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
WIL
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

224201

PDB entries from 2024-08-28

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