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Summary Geometry Related PDB entries

FJW

Summary

Name:	5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine
Synonyms:	BAY 41-2272
Formula:	C20 H17 F N6
Formal charge:	0
Formula weight:	360.388 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C20H17FN6/c21-16-6-2-1-4-13(16)11-27-20-14(5-3-9-23-20)17(26-27)19-24-10-15(12-7-8-12)18(22)25-19/h1-6,9-10,12H,7-8,11H2,(H2,22,24,25)
InChIKey	InChI	1.06	ATOAHNRJAXSBOR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1nc(ncc1C2CC2)c3nn(Cc4ccccc4F)c5ncccc35
SMILES	CACTVS	3.385	Nc1nc(ncc1C2CC2)c3nn(Cc4ccccc4F)c5ncccc35
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ncc(c(n4)N)C5CC5)F
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ncc(c(n4)N)C5CC5)F

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