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

W5X

Summary

Name:	PF-3463275
Synonyms:	~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
Formula:	C19 H22 Cl F N4 O
Formal charge:	0
Formula weight:	376.856 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15-
InChIKey	InChI	1.06	KYLOBHXXQOZRKK-QDMKHBRRSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C[C@@H]2[C@H](C1)C2CN(Cc3ccc(F)c(Cl)c3)C(=O)c4cn(C)cn4
SMILES	CACTVS	3.385	CN1C[CH]2[CH](C1)C2CN(Cc3ccc(F)c(Cl)c3)C(=O)c4cn(C)cn4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1cc(nc1)C(=O)N(Cc2ccc(c(c2)Cl)F)CC3[C@H]4[C@@H]3CN(C4)C
SMILES	OpenEye OEToolkits	2.0.7	Cn1cc(nc1)C(=O)N(Cc2ccc(c(c2)Cl)F)CC3C4C3CN(C4)C

220472

PDB entries from 2024-05-29

PDB statistics

PDBj update info

Contact PDBj

numon