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PDB Info pages Status search Chemie search: 35418 results BIRD

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

VVU

VVU
Name:	dirhodium (II) tetraacetate
Formula:	C8 H16 O8 Rh2
SMILES:	C[CH]1O[Rh++]234O[CH](C)O[Rh++]2(O1)(O[CH](C)O3)O[CH](C)O4
InChi:	InChI=1S/4C2H4O2.2Rh/c4*1-2(3)4
Synonyms:	Rhodium(II) acetate
Definition date:	2023-04-12
Last modified:	2023-06-09
Release date:	2023-06-14

VW5

VW5
Name:	dirhodium (II) oxide
Formula:	H8 O8 Rh2
SMILES:	O[Rh++](O)(O)(O)[Rh++](O)(O)(O)O
InChi:	InChI=1S/8H2O.2Rh/h8*1H2
Definition date:	2023-04-12
Last modified:	2023-06-09
Release date:	2023-06-14

KW2

KW2
Name:	(2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol
Formula:	C24 H34 N2 O4
SMILES:	C[CH]1[CH](C[CH]2C[CH]1C2(C)C)NCc3cn([CH]4OC[CH](O)[CH](O)[CH]4O)c5ccccc35
InChi:	InChI=1S/C24H34N2O4/c1-13-17-8-15(24(17,2)3)9-18(13)25-10-14-11-26(19-7-5-4-6-16(14)19)23-22(29)21(28)20(27)12-30-23/h4-7,11,13,15,17-18,20-23,25,27-29H,8-10,12H2,1-3H3/t13-,15+,17-,18-,20-,21+,22-,23-/m1/s1
Definition date:	2022-06-07
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol

KW6

KW6
Name:	(2R,3R,4S,5R)-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Formula:	C22 H19 N5 O4
SMILES:	Nc1ncnc2n(cc(C#Cc3cnc4ccccc4c3)c12)[CH]5O[CH](CO)[CH](O)[CH]5O
InChi:	InChI=1S/C22H19N5O4/c23-20-17-14(6-5-12-7-13-3-1-2-4-15(13)24-8-12)9-27(21(17)26-11-25-20)22-19(30)18(29)16(10-28)31-22/h1-4,7-9,11,16,18-19,22,28-30H,10H2,(H2,23,25,26)/t16-,18-,19-,22-/m1/s1
Definition date:	2022-06-07
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol

KWX

KWX
Name:	(1S,2S)-2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
Formula:	C14 H15 Cl F N O3
SMILES:	OC(=O)C1CCCCC1C(=O)Nc1ccc(F)c(Cl)c1
InChi:	InChI=1S/C14H15ClFNO3/c15-11-7-8(5-6-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)/t9-,10+/m0/s1
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1S,2S)-2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

W7U

W7U
Name:	(5R)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-4,5-dihydro-1H-pyrazol-5-ol
Formula:	C11 H13 Cl N2 O S
SMILES:	CN1N=C(CSc2ccc(Cl)cc2)CC1O
InChi:	InChI=1S/C11H13ClN2OS/c1-14-11(15)6-9(13-14)7-16-10-4-2-8(12)3-5-10/h2-5,11,15H,6-7H2,1H3
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(5R)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-4,5-dihydro-1H-pyrazol-5-ol

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

L8T

L8T
Name:	2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Formula:	C18 H21 N O5 S
SMILES:	O=C(O)C=1CCCC=1C(=O)Nc1sc2CCCCc2c1C(=O)OCC
InChi:	InChI=1S/C18H21NO5S/c1-2-24-18(23)14-12-6-3-4-9-13(12)25-16(14)19-15(20)10-7-5-8-11(10)17(21)22/h2-9H2,1H3,(H,19,20)(H,21,22)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid

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

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