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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
Y6L
Y6L
Name:4-(2-aminopropan-2-yl)-N'-[4-(cyclopropyloxy)-3-methoxybenzoyl]-6-(4-fluorophenyl)pyridine-2-carbohydrazide
Formula:C26 H27 F N4 O4
SMILES:O=C(NNC(=O)c1ccc(OC2CC2)c(OC)c1)c1cc(cc(n1)c1ccc(F)cc1)C(C)(C)N
InChi:InChI=1S/C26H27FN4O4/c1-26(2,28)17-13-20(15-4-7-18(27)8-5-15)29-21(14-17)25(33)31-30-24(32)16-6-11-22(23(12-16)34-3)35-19-9-10-19/h4-8,11-14,19H,9-10,28H2,1-3H3,(H,30,32)(H,31,33)
Definition date:2023-01-06
Last modified:2023-06-09
Release date:2023-06-14
Identifier:4-(2-aminopropan-2-yl)-N'-[4-(cyclopropyloxy)-3-methoxybenzoyl]-6-(4-fluorophenyl)pyridine-2-carbohydrazide
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
U6O
U6O
Name:2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Formula:C18 H19 N3 O4 S
SMILES:O=C(Nc1sc(C)c(C)c1c1nc(no1)C1CC1)C=1CCCC=1C(=O)O
InChi:InChI=1S/C18H19N3O4S/c1-8-9(2)26-17(13(8)16-19-14(21-25-16)10-6-7-10)20-15(22)11-4-3-5-12(11)18(23)24/h10H,3-7H2,1-2H3,(H,20,22)(H,23,24)
Definition date:2023-05-09
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}cyclopent-1-ene-1-carboxylic acid
S4I
S4I
Name:(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,4-dione
Formula:C11 H10 Cl N O3
SMILES:Clc1ccc(CN2CC(=O)C(O)C2=O)cc1
InChi:InChI=1S/C11H10ClNO3/c12-8-3-1-7(2-4-8)5-13-6-9(14)10(15)11(13)16/h1-4,10,15H,5-6H2/t10-/m0/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,4-dione
O1L
O1L
Name:1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]pyridin-2(1H)-one
Formula:C21 H17 Cl2 N O2
SMILES:Clc1ccc(CN2C=CC(O)=C(C/C=C/c3ccccc3)C2=O)c(Cl)c1
InChi:InChI=1S/C21H17Cl2NO2/c22-17-10-9-16(19(23)13-17)14-24-12-11-20(25)18(21(24)26)8-4-7-15-5-2-1-3-6-15/h1-7,9-13,25H,8,14H2/b7-4+
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]pyridin-2(1H)-one
Q4X
Q4X
Name:5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid
Formula:C20 H19 F2 N3 O5 S
SMILES:O=C(O)C=1CCOCC=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)12-8-29-6-4-10(12)19(27)28/h9H,1-8H2,(H,24,26)(H,27,28)
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid
WBR
WBR
Name:(3P)-2-tert-butyl-6-ethyl-4,5-diphenyl-3-(1H-tetrazol-5-yl)pyridine
Formula:C24 H25 N5
SMILES:CC(C)(C)c1nc(CC)c(c2ccccc2)c(c1c1nnn[NH]1)c1ccccc1
InChi:InChI=1S/C24H25N5/c1-5-18-19(16-12-8-6-9-13-16)20(17-14-10-7-11-15-17)21(23-26-28-29-27-23)22(25-18)24(2,3)4/h6-15H,5H2,1-4H3,(H,26,27,28,29)
Definition date:2023-05-10
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(3P)-2-tert-butyl-6-ethyl-4,5-diphenyl-3-(1H-tetrazol-5-yl)pyridine
VVL
VVL
Name:6-benzyl-1,2,4-triazine-3,5(2H,4H)-dithione
Formula:C10 H9 N3 S2
SMILES:S=C1NC(=S)C(Cc2ccccc2)=NN1
InChi:InChI=1S/C10H9N3S2/c14-9-8(12-13-10(15)11-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13,14,15)
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:6-benzyl-1,2,4-triazine-3,5(2H,4H)-dithione
XB8
XB8
Name:~{N}-[3-(2-fluorophenyl)propyl]-~{N}-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]cyclobutanamine
Formula:C28 H32 F N O2
SMILES:COc1cccc(CN(CCCc2ccccc2F)C3CCC3)c1OCc4ccccc4
InChi:InChI=1S/C28H32FNO2/c1-31-27-18-7-13-24(28(27)32-21-22-10-3-2-4-11-22)20-30(25-15-8-16-25)19-9-14-23-12-5-6-17-26(23)29/h2-7,10-13,17-18,25H,8-9,14-16,19-21H2,1H3
Definition date:2023-02-06
Last modified:2023-06-09
Release date:2023-06-14
Identifier:~{N}-[3-(2-fluorophenyl)propyl]-~{N}-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]cyclobutanamine
U8H
U8H
Name:6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione
Formula:C11 H11 N3 O S2
SMILES:COc1ccc(cc1)CC1=NNC(=S)NC1=S
InChi:InChI=1S/C11H11N3OS2/c1-15-8-4-2-7(3-5-8)6-9-10(16)12-11(17)14-13-9/h2-5H,6H2,1H3,(H2,12,14,16,17)
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione
Q6I
Q6I
Name:(3-bromophenyl)[(2Z)-2-(phenylimino)-1,3-thiazepan-3-yl]methanone
Formula:C18 H17 Br N2 O S
SMILES:O=C(N1CCCCSC1=N/c1ccccc1)c1cccc(Br)c1
InChi:InChI=1S/C18H17BrN2OS/c19-15-8-6-7-14(13-15)17(22)21-11-4-5-12-23-18(21)20-16-9-2-1-3-10-16/h1-3,6-10,13H,4-5,11-12H2/b20-18-
Definition date:2023-05-08
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(3-bromophenyl)[(2Z)-2-(phenylimino)-1,3-thiazepan-3-yl]methanone
UO3
UO3
Name:4-hexylsulfanyl-1-(pyridin-3-ylmethyl)-6-sulfanyl-1$l^{4},3,5-triazacyclohexa-1,3,5-trien-2-ol
Formula:C15 H21 N4 O S2
SMILES:CCCCCCSc1nc(O)[n](Cc2cccnc2)c(S)n1
InChi:InChI=1S/C15H21N4OS2/c1-2-3-4-5-9-22-13-17-14(20)19(15(21)18-13)11-12-7-6-8-16-10-12/h6-8,10H,2-5,9,11H2,1H3,(H2,17,18,20,21)
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:4-hexylsulfanyl-1-(pyridin-3-ylmethyl)-6-sulfanyl-1$l^{4},3,5-triazacyclohexa-1,3,5-trien-2-ol
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
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
VI0
VI0
Name:(10S)-10-phenyl-10,11-dihydro-5H-pyrimido[4,5-c][2]benzazepin-2-amine
Formula:C18 H16 N4
SMILES:Nc1nc2NC(c3ccccc3Cc2cn1)c1ccccc1
InChi:InChI=1S/C18H16N4/c19-18-20-11-14-10-13-8-4-5-9-15(13)16(21-17(14)22-18)12-6-2-1-3-7-12/h1-9,11,16H,10H2,(H3,19,20,21,22)/t16-/m0/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(10S)-10-phenyl-10,11-dihydro-5H-pyrimido[4,5-c][2]benzazepin-2-amine
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

223532

PDB entries from 2024-08-07

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