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Summary Geometry Related PDB entries

F51

Summary

Name:	2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid
Formula:	C22 H16 N2 O2
Formal charge:	0
Formula weight:	340.375 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid
OpenEye OEToolkits	2.0.6	3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2cc1nc(c(C)c(c1cc2)C(O)=O)c3ccc(cc3)c4ccccc4
InChI	InChI	1.03	InChI=1S/C22H16N2O2/c1-14-20(22(25)26)18-11-12-23-13-19(18)24-21(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,25,26)
InChIKey	InChI	1.03	QTJZVPVLAFKPGP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1c(nc2cnccc2c1C(O)=O)c3ccc(cc3)c4ccccc4
SMILES	CACTVS	3.385	Cc1c(nc2cnccc2c1C(O)=O)c3ccc(cc3)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1c(c2ccncc2nc1c3ccc(cc3)c4ccccc4)C(=O)O
SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c2ccncc2nc1c3ccc(cc3)c4ccccc4)C(=O)O

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PDB entries from 2024-07-17

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