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Summary Geometry Related PDB entries

UGK

Summary

Name:	8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one
Formula:	C23 H21 F N6 O3
Formal charge:	0
Formula weight:	448.45 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C23H21FN6O3/c1-12-15(11-28(2)27-12)13-6-14-17(7-19(13)32-4)26-9-18-21(14)30(23(31)29(18)3)22-16(24)8-25-10-20(22)33-5/h6-11H,1-5H3
InChIKey	InChI	1.03	WNEFOSMCGCLLJU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cncc(F)c1N2C(=O)N(C)c3cnc4cc(OC)c(cc4c23)c5cn(C)nc5C
SMILES	CACTVS	3.385	COc1cncc(F)c1N2C(=O)N(C)c3cnc4cc(OC)c(cc4c23)c5cn(C)nc5C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(cn(n1)C)c2cc3c(cc2OC)ncc4c3N(C(=O)N4C)c5c(cncc5F)OC
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cn(n1)C)c2cc3c(cc2OC)ncc4c3N(C(=O)N4C)c5c(cncc5F)OC

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