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Summary Geometry Related PDB entries

U9L

Summary

Name:	1-[(3-chlorophenyl)methyl]-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline
Formula:	C22 H21 Cl N4
Formal charge:	0
Formula weight:	376.882 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	1-[(3-chlorophenyl)methyl]-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C22H21ClN4/c23-17-5-3-4-16(14-17)15-27-11-8-19-21(27)18-6-1-2-7-20(18)25-22(19)26-12-9-24-10-13-26/h1-8,11,14,24H,9-10,12-13,15H2
InChIKey	InChI	1.06	MFUVKDHSDIAPMH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cccc(Cn2ccc3c(nc4ccccc4c23)N5CCNCC5)c1
SMILES	CACTVS	3.385	Clc1cccc(Cn2ccc3c(nc4ccccc4c23)N5CCNCC5)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c3c(ccn3Cc4cccc(c4)Cl)c(n2)N5CCNCC5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c3c(ccn3Cc4cccc(c4)Cl)c(n2)N5CCNCC5

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