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Summary Geometry Related PDB entries

C9J

Summary

Name:	2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one
Formula:	C17 H12 F N5 O2
Formal charge:	0
Formula weight:	337.308 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one
OpenEye OEToolkits	2.0.6	2-[1-(3-fluoranyl-4-oxidanyl-phenyl)-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2c1c(C(N(C)C=C1)=O)nc(c2)c3cn(nn3)c4ccc(c(c4)F)O
InChI	InChI	1.03	InChI=1S/C17H12FN5O2/c1-22-7-6-10-2-4-13(19-16(10)17(22)25)14-9-23(21-20-14)11-3-5-15(24)12(18)8-11/h2-9,24H,1H3
InChIKey	InChI	1.03	VGLQAFZICPSJRO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(O)c(F)c4
SMILES	CACTVS	3.385	CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(O)c(F)c4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(c(c4)F)O
SMILES	OpenEye OEToolkits	2.0.6	CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(c(c4)F)O

218500

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