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Summary

Name:	6-(4-acetylpiperazin-1-yl)-3-({1-[(3,4-dichlorophenyl)methyl]-1H-1,2,3-triazol-4-yl}methyl)quinazolin-4(3H)-one
Formula:	C24 H23 Cl2 N7 O2
Formal charge:	0
Formula weight:	512.391 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-(4-acetylpiperazin-1-yl)-3-({1-[(3,4-dichlorophenyl)methyl]-1H-1,2,3-triazol-4-yl}methyl)quinazolin-4(3H)-one
OpenEye OEToolkits	2.0.7	3-[[1-[(3,4-dichlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-6-(4-ethanoylpiperazin-1-yl)quinazolin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(=O)N1CCN(CC1)c1ccc2N=CN(Cc3cn(Cc4cc(Cl)c(Cl)cc4)nn3)C(=O)c2c1
InChI	InChI	1.06	InChI=1S/C24H23Cl2N7O2/c1-16(34)30-6-8-31(9-7-30)19-3-5-23-20(11-19)24(35)32(15-27-23)13-18-14-33(29-28-18)12-17-2-4-21(25)22(26)10-17/h2-5,10-11,14-15H,6-9,12-13H2,1H3
InChIKey	InChI	1.06	OHJWVEMROBPGAO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)N1CCN(CC1)c2ccc3N=CN(Cc4cn(Cc5ccc(Cl)c(Cl)c5)nn4)C(=O)c3c2
SMILES	CACTVS	3.385	CC(=O)N1CCN(CC1)c2ccc3N=CN(Cc4cn(Cc5ccc(Cl)c(Cl)c5)nn4)C(=O)c3c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=O)N1CCN(CC1)c2ccc3c(c2)C(=O)N(C=N3)Cc4cn(nn4)Cc5ccc(c(c5)Cl)Cl
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCN(CC1)c2ccc3c(c2)C(=O)N(C=N3)Cc4cn(nn4)Cc5ccc(c(c5)Cl)Cl

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PDB entries from 2026-02-11

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