English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

77K

Summary

Name:	5-(4-fluorophenyl)-2,3-dihydroxy-N-[(1-methylimidazol-4-yl)methyl]benzamide
Formula:	C18 H16 F N3 O3
Formal charge:	0
Formula weight:	341.336 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4'-fluoro-4,5-dihydroxy-N-[(1-methyl-1H-imidazol-4-yl)methyl][1,1'-biphenyl]-3-carboxamide
OpenEye OEToolkits	1.7.6	5-(4-fluorophenyl)-N-[(1-methylimidazol-4-yl)methyl]-2,3-bis(oxidanyl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2c(c1ccc(F)cc1)cc(c(c2C(=O)NCc3ncn(C)c3)O)O
InChI	InChI	1.03	InChI=1S/C18H16FN3O3/c1-22-9-14(21-10-22)8-20-18(25)15-6-12(7-16(23)17(15)24)11-2-4-13(19)5-3-11/h2-7,9-10,23-24H,8H2,1H3,(H,20,25)
InChIKey	InChI	1.03	ICFMTNZFOIXRGG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cnc(CNC(=O)c2cc(cc(O)c2O)c3ccc(F)cc3)c1
SMILES	CACTVS	3.385	Cn1cnc(CNC(=O)c2cc(cc(O)c2O)c3ccc(F)cc3)c1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cn1cc(nc1)CNC(=O)c2cc(cc(c2O)O)c3ccc(cc3)F
SMILES	OpenEye OEToolkits	1.7.6	Cn1cc(nc1)CNC(=O)c2cc(cc(c2O)O)c3ccc(cc3)F

224931

건을2024-09-11부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon