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Summary Geometry Related PDB entries

FRK

Summary

Name:	N-[4,5-BIS(4-HYDROXYPHENYL)-1,3-THIAZOL-2-YL]HEXANAMIDE
Synonyms:	FR104783
Formula:	C21 H22 N2 O3 S
Formal charge:	0
Formula weight:	382.476 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N-[4,5-bis(4-hydroxyphenyl)-1,3-thiazol-2-yl]hexanamide
OpenEye OEToolkits	1.5.0	N-[4,5-bis(4-hydroxyphenyl)-1,3-thiazol-2-yl]hexanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc2nc(c1ccc(O)cc1)c(s2)c3ccc(O)cc3)CCCCC
SMILES_CANONICAL	CACTVS	3.341	CCCCCC(=O)Nc1sc(c2ccc(O)cc2)c(n1)c3ccc(O)cc3
SMILES	CACTVS	3.341	CCCCCC(=O)Nc1sc(c2ccc(O)cc2)c(n1)c3ccc(O)cc3
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CCCCCC(=O)Nc1nc(c(s1)c2ccc(cc2)O)c3ccc(cc3)O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCC(=O)Nc1nc(c(s1)c2ccc(cc2)O)c3ccc(cc3)O
InChI	InChI	1.03	InChI=1S/C21H22N2O3S/c1-2-3-4-5-18(26)22-21-23-19(14-6-10-16(24)11-7-14)20(27-21)15-8-12-17(25)13-9-15/h6-13,24-25H,2-5H2,1H3,(H,22,23,26)
InChIKey	InChI	1.03	RPLGSGRXKXSQAO-UHFFFAOYSA-N

218853

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