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

A1JCC

Summary

Name:	~{N}-[3-fluoranyl-5-[4-(4-methoxypiperidin-1-yl)carbonyl-5-methyl-furan-2-yl]phenyl]-4,4-dimethyl-piperidine-1-carboximidamide
Formula:	C26 H35 F N4 O3
Formal charge:	0
Formula weight:	470.58 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[3-fluoranyl-5-[4-(4-methoxypiperidin-1-yl)carbonyl-5-methyl-furan-2-yl]phenyl]-4,4-dimethyl-piperidine-1-carboximidamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C26H35FN4O3/c1-17-22(24(32)30-9-5-21(33-4)6-10-30)16-23(34-17)18-13-19(27)15-20(14-18)29-25(28)31-11-7-26(2,3)8-12-31/h13-16,21H,5-12H2,1-4H3,(H2,28,29)
InChIKey	InChI	1.06	PYNQAYNMHITVOO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COC1CCN(CC1)C(=O)c2cc(oc2C)c3cc(F)cc(NC(=N)N4CCC(C)(C)CC4)c3
SMILES	CACTVS	3.385	COC1CCN(CC1)C(=O)c2cc(oc2C)c3cc(F)cc(NC(=N)N4CCC(C)(C)CC4)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	[H]/N=C(\Nc1cc(cc(c1)F)c2cc(c(o2)C)C(=O)N3CCC(CC3)OC)/N4CCC(CC4)(C)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cc(o1)c2cc(cc(c2)F)NC(=N)N3CCC(CC3)(C)C)C(=O)N4CCC(CC4)OC

257629

PDB entries from 2026-08-05

PDB statistics

PDBj update info

Contact PDBj

numon