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

A1MCY

Summary

Name:	vornorexant
Synonyms:	[(2~{S})-2-[[3-(5-fluoranylpyridin-2-yl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-[5-methyl-2-(1,2,3-triazol-2-yl)phenyl]methanone
Formula:	C23 H22 F N7 O2
Formal charge:	0
Formula weight:	447.465 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	[(2~{S})-2-[[3-(5-fluoranylpyridin-2-yl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-[5-methyl-2-(1,2,3-triazol-2-yl)phenyl]methanone

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H22FN7O2/c1-16-3-6-21(31-26-8-9-27-31)18(13-16)23(32)30-10-2-12-33-22(30)15-29-11-7-20(28-29)19-5-4-17(24)14-25-19/h3-9,11,13-14,22H,2,10,12,15H2,1H3/t22-/m0/s1
InChIKey	InChI	1.06	AEZZJXJIJFSUEM-QFIPXVFZSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc(n2nccn2)c(c1)C(=O)N3CCCO[C@H]3Cn4ccc(n4)c5ccc(F)cn5
SMILES	CACTVS	3.385	Cc1ccc(n2nccn2)c(c1)C(=O)N3CCCO[CH]3Cn4ccc(n4)c5ccc(F)cn5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1)C(=O)N2CCCO[C@H]2Cn3ccc(n3)c4ccc(cn4)F)n5nccn5
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1)C(=O)N2CCCOC2Cn3ccc(n3)c4ccc(cn4)F)n5nccn5

254917

PDB entries from 2026-06-10

PDB statistics

PDBj update info

Contact PDBj

numon