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Summary Geometry Related PDB entries

D28

Summary

Name:	4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
Formula:	C17 H13 F N2 O3 S
Formal charge:	0
Formula weight:	344.36 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
OpenEye OEToolkits	1.5.0	4-[[4-(4-fluoro-3-methyl-phenyl)-1,3-thiazol-2-yl]amino]-2-hydroxy-benzoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc3ccc(c1nc(sc1)Nc2cc(O)c(C(=O)O)cc2)cc3C
SMILES_CANONICAL	CACTVS	3.341	Cc1cc(ccc1F)c2csc(Nc3ccc(C(O)=O)c(O)c3)n2
SMILES	CACTVS	3.341	Cc1cc(ccc1F)c2csc(Nc3ccc(C(O)=O)c(O)c3)n2
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1cc(ccc1F)c2csc(n2)Nc3ccc(c(c3)O)C(=O)O
SMILES	OpenEye OEToolkits	1.5.0	Cc1cc(ccc1F)c2csc(n2)Nc3ccc(c(c3)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C17H13FN2O3S/c1-9-6-10(2-5-13(9)18)14-8-24-17(20-14)19-11-3-4-12(16(22)23)15(21)7-11/h2-8,21H,1H3,(H,19,20)(H,22,23)
InChIKey	InChI	1.03	LKZZDHKJFDTYCH-UHFFFAOYSA-N

221051

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