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

A1L1D

Summary

Name:	C1R
Synonyms:	4-butoxy-~{N}-[(2~{R})-2-(4-methoxyphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]benzamide Quin C1
Formula:	C26 H27 N3 O4
Formal charge:	0
Formula weight:	445.51 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-butoxy-~{N}-[(2~{R})-2-(4-methoxyphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C26H27N3O4/c1-3-4-17-33-21-15-11-19(12-16-21)25(30)28-29-24(18-9-13-20(32-2)14-10-18)27-23-8-6-5-7-22(23)26(29)31/h5-16,24,27H,3-4,17H2,1-2H3,(H,28,30)/t24-/m1/s1
InChIKey	InChI	1.06	XORVAHQXRDLSFT-XMMPIXPASA-N
SMILES_CANONICAL	CACTVS	3.385	CCCCOc1ccc(cc1)C(=O)NN2[C@@H](Nc3ccccc3C2=O)c4ccc(OC)cc4
SMILES	CACTVS	3.385	CCCCOc1ccc(cc1)C(=O)NN2[CH](Nc3ccccc3C2=O)c4ccc(OC)cc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCCCOc1ccc(cc1)C(=O)NN2[C@@H](Nc3ccccc3C2=O)c4ccc(cc4)OC
SMILES	OpenEye OEToolkits	2.0.7	CCCCOc1ccc(cc1)C(=O)NN2C(Nc3ccccc3C2=O)c4ccc(cc4)OC

248335

PDB entries from 2026-01-28

PDB statistics

PDBj update info

Contact PDBj

numon