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

6CY

Summary

Name:	5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile
Formula:	C28 H24 N6 O3
Formal charge:	0
Formula weight:	492.529 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile
OpenEye OEToolkits	2.0.4	5-[4-[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]quinazolin-6-yl]-2-methoxy-pyridine-3-carbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C5N(C(=O)C)CCN(C(=O)c1cc(ccc1)c2ncnc4c2cc(c3cc(c(OC)nc3)C#N)cc4)C5
InChI	InChI	1.03	InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,8-11H2,1-2H3
InChIKey	InChI	1.03	QYTXJLQBSYAMGR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ncc(cc1C#N)c2ccc3ncnc(c4cccc(c4)C(=O)N5CCN(CC5)C(C)=O)c3c2
SMILES	CACTVS	3.385	COc1ncc(cc1C#N)c2ccc3ncnc(c4cccc(c4)C(=O)N5CCN(CC5)C(C)=O)c3c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	CC(=O)N1CCN(CC1)C(=O)c2cccc(c2)c3c4cc(ccc4ncn3)c5cc(c(nc5)OC)C#N
SMILES	OpenEye OEToolkits	2.0.4	CC(=O)N1CCN(CC1)C(=O)c2cccc(c2)c3c4cc(ccc4ncn3)c5cc(c(nc5)OC)C#N

247536

PDB entries from 2026-01-14

PDB statistics

PDBj update info

Contact PDBj

numon