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OM6
OM6
Name:(2S)-2-cyclohexyl-6-hydroxy-1-benzofuran-3(2H)-one
Formula:C14 H16 O3
SMILES:Oc1ccc2c(c1)OC(C2=O)C1CCCCC1
InChi:InChI=1S/C14H16O3/c15-10-6-7-11-12(8-10)17-14(13(11)16)9-4-2-1-3-5-9/h6-9,14-15H,1-5H2/t14-/m0/s1
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(2S)-2-cyclohexyl-6-hydroxy-1-benzofuran-3(2H)-one
VI9
VI9
Name:2-({(3P)-4-cyclopropyl-5-methyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}carbamoyl)cyclopent-1-ene-1-carboxylic acid
Formula:C18 H16 F3 N3 O4 S
SMILES:O=C(Nc1sc(C)c(c1c1nc(no1)C(F)(F)F)C1CC1)C=1CCCC=1C(=O)O
InChi:InChI=1S/C18H16F3N3O4S/c1-7-11(8-5-6-8)12(14-23-17(24-28-14)18(19,20)21)15(29-7)22-13(25)9-3-2-4-10(9)16(26)27/h8H,2-6H2,1H3,(H,22,25)(H,26,27)
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:2-({(3P)-4-cyclopropyl-5-methyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}carbamoyl)cyclopent-1-ene-1-carboxylic acid
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
QN6
QN6
Name:(3M)-4-(2-methylpropyl)-2-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
Formula:C21 H25 N5
SMILES:CC(C)Cc1c(c(nc2CCCCCc21)c1ccccc1)c1nnn[NH]1
InChi:InChI=1S/C21H25N5/c1-14(2)13-17-16-11-7-4-8-12-18(16)22-20(15-9-5-3-6-10-15)19(17)21-23-25-26-24-21/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3,(H,23,24,25,26)
Definition date:2023-05-08
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(3M)-4-(2-methylpropyl)-2-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
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
OKF
OKF
Name:3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid
Formula:C24 H21 N O2
SMILES:O=C(O)CCn1c2ccc(C)cc2c(c2ccccc2)c1c1ccccc1
InChi:InChI=1S/C24H21NO2/c1-17-12-13-21-20(16-17)23(18-8-4-2-5-9-18)24(19-10-6-3-7-11-19)25(21)15-14-22(26)27/h2-13,16H,14-15H2,1H3,(H,26,27)
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoic 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
RG6
RG6
Name:2-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol
Formula:C8 H3 Cl F6 O S2
SMILES:Oc1c(SC(F)(F)F)cc(cc1Cl)SC(F)(F)F
InChi:InChI=1S/C8H3ClF6OS2/c9-4-1-3(17-7(10,11)12)2-5(6(4)16)18-8(13,14)15/h1-2,16H
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:2-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol
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
VIY
VIY
Name:(1R,2S,4R)-2-(3-chlorobenzamido)-4-phenoxycyclohexane-1-carboxylic acid
Formula:C20 H20 Cl N O4
SMILES:Clc1cccc(c1)C(=O)NC1CC(Oc2ccccc2)CCC1C(=O)O
InChi:InChI=1S/C20H20ClNO4/c21-14-6-4-5-13(11-14)19(23)22-18-12-16(9-10-17(18)20(24)25)26-15-7-2-1-3-8-15/h1-8,11,16-18H,9-10,12H2,(H,22,23)(H,24,25)/t16-,17-,18+/m1/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(1R,2S,4R)-2-(3-chlorobenzamido)-4-phenoxycyclohexane-1-carboxylic acid
VJ3
VJ3
Name:1-[([1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
Formula:C18 H18 N2 O3
SMILES:OC(=O)C1CCCN1C(=O)Nc1ccccc1c1ccccc1
InChi:InChI=1S/C18H18N2O3/c21-17(22)16-11-6-12-20(16)18(23)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H,19,23)(H,21,22)/t16-/m0/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:1-[([1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
WF6
WF6
Name:5-[(2-chlorophenoxy)methyl]-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
Formula:C12 H14 Cl N3 O S
SMILES:Sc1nnc(COc2ccccc2Cl)n1C(C)C
InChi:InChI=1S/C12H14ClN3OS/c1-8(2)16-11(14-15-12(16)18)7-17-10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H,15,18)
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:5-[(2-chlorophenoxy)methyl]-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
WXZ
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
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
S8X
S8X
Name:5-benzyl-4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-thiol
Formula:C15 H16 N4 S
SMILES:Cc1ccc(C)n1n1c(nnc1S)Cc1ccccc1
InChi:InChI=1S/C15H16N4S/c1-11-8-9-12(2)18(11)19-14(16-17-15(19)20)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,20)
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:5-benzyl-4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-thiol
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
RI4
RI4
Name:(3P)-2-[(2R)-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-/m1/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(3P)-2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
QBX
QBX
Name:{[(10R)-2-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl]sulfanyl}acetic acid
Formula:C16 H13 Cl O2 S2
SMILES:O=C(O)CSC1Cc2cc(Cl)ccc2Sc2ccccc12
InChi:InChI=1S/C16H13ClO2S2/c17-11-5-6-13-10(7-11)8-15(20-9-16(18)19)12-3-1-2-4-14(12)21-13/h1-7,15H,8-9H2,(H,18,19)/t15-/m1/s1
Definition date:2023-05-08
Last modified:2023-06-09
Release date:2023-06-14
Identifier:{[(10R)-2-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl]sulfanyl}acetic acid
RJM
RJM
Name:(1S,3R)-3-[([1,1'-biphenyl]-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
Formula:C19 H19 N O3
SMILES:O=C(Nc1ccccc1c1ccccc1)C1C(C(O)=O)C1(C)C
InChi:InChI=1S/C19H19NO3/c1-19(2)15(16(19)18(22)23)17(21)20-14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11,15-16H,1-2H3,(H,20,21)(H,22,23)/t15-,16+/m0/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(1S,3R)-3-[([1,1'-biphenyl]-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
QR7
QR7
Name:10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one
Formula:C24 H28 N8 O2
SMILES:CN1CCOCCNC(=O)c2cn(C)c3ccc(Nc4nccc(n4)n5cc(C1)c(C)n5)cc23
InChi:InChI=1S/C24H28N8O2/c1-16-17-13-30(2)9-11-34-10-8-25-23(33)20-15-31(3)21-5-4-18(12-19(20)21)27-24-26-7-6-22(28-24)32(14-17)29-16/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,25,33)(H,26,27,28)
Definition date:2022-11-11
Last modified:2023-06-09
Release date:2023-06-14
Identifier:10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one

223532

PDB entries from 2024-08-07

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