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Summary

Name:	N-cyclopentyl-4-[3-(2-{[(3,4-dichlorophenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-6-yl]piperazine-1-carboxamide
Formula:	C27 H30 Cl2 N6 O3
Formal charge:	0
Formula weight:	557.471 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-cyclopentyl-4-[3-(2-{[(3,4-dichlorophenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-6-yl]piperazine-1-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-cyclopentyl-4-[3-[2-[(3,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-quinazolin-6-yl]piperazine-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC1CCCC1)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NCc3ccc(Cl)c(Cl)c3)C=Nc2cc1
InChI	InChI	1.06	InChI=1S/C27H30Cl2N6O3/c28-22-7-5-18(13-23(22)29)15-30-25(36)16-35-17-31-24-8-6-20(14-21(24)26(35)37)33-9-11-34(12-10-33)27(38)32-19-3-1-2-4-19/h5-8,13-14,17,19H,1-4,9-12,15-16H2,(H,30,36)(H,32,38)
InChIKey	InChI	1.06	UWCUJOFCPOGYGA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1ccc(CNC(=O)CN2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C(=O)NC5CCCC5)cc1Cl
SMILES	CACTVS	3.385	Clc1ccc(CNC(=O)CN2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C(=O)NC5CCCC5)cc1Cl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1CNC(=O)CN2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C(=O)NC5CCCC5)Cl)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1CNC(=O)CN2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C(=O)NC5CCCC5)Cl)Cl

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PDB entries from 2026-02-11

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