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Summary Geometry Related PDB entries

JH6

Summary

Name:	N-(6-methylpyridin-2-yl)-5-(pyridin-3-yl)-1,7-naphthyridin-8-amine
Formula:	C19 H15 N5
Formal charge:	0
Formula weight:	313.356 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(6-methylpyridin-2-yl)-5-(pyridin-3-yl)-1,7-naphthyridin-8-amine
OpenEye OEToolkits	2.0.7	~{N}-(6-methylpyridin-2-yl)-5-pyridin-3-yl-1,7-naphthyridin-8-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cccc(n1)Nc1ncc(c2cccnc21)c1cccnc1
InChI	InChI	1.03	InChI=1S/C19H15N5/c1-13-5-2-8-17(23-13)24-19-18-15(7-4-10-21-18)16(12-22-19)14-6-3-9-20-11-14/h2-12H,1H3,(H,22,23,24)
InChIKey	InChI	1.03	PTTACYKBFLIGQP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cccc(Nc2ncc(c3cccnc3)c4cccnc24)n1
SMILES	CACTVS	3.385	Cc1cccc(Nc2ncc(c3cccnc3)c4cccnc24)n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cccc(n1)Nc2c3c(cccn3)c(cn2)c4cccnc4
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(n1)Nc2c3c(cccn3)c(cn2)c4cccnc4

222415

PDB entries from 2024-07-10

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