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Summary Geometry Related PDB entries

U5X

Summary

Name:	(5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine
Formula:	C21 H16 Cl N3
Formal charge:	0
Formula weight:	345.825 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine
OpenEye OEToolkits	2.0.7	6-chloranyl-~{N}-(phenylmethyl)-5-quinolin-5-yl-pyridin-3-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ncc(cc1c1cccc2ncccc12)NCc1ccccc1
InChI	InChI	1.06	InChI=1S/C21H16ClN3/c22-21-19(17-8-4-10-20-18(17)9-5-11-23-20)12-16(14-25-21)24-13-15-6-2-1-3-7-15/h1-12,14,24H,13H2
InChIKey	InChI	1.06	VRUKNHIWQHOODW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1ncc(NCc2ccccc2)cc1c3cccc4ncccc34
SMILES	CACTVS	3.385	Clc1ncc(NCc2ccccc2)cc1c3cccc4ncccc34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CNc2cc(c(nc2)Cl)c3cccc4c3cccn4
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CNc2cc(c(nc2)Cl)c3cccc4c3cccn4

219869

PDB entries from 2024-05-15

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