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Summary Geometry Related PDB entries

WJL

Summary

Name:	6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide
Formula:	C20 H20 N6 O
Formal charge:	0
Formula weight:	360.412 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C20H20N6O/c1-11(2)26-19-16(10-22-26)15(8-18(24-19)12-3-4-12)20(27)23-14-5-6-17-13(7-14)9-21-25-17/h5-12H,3-4H2,1-2H3,(H,21,25)(H,23,27)
InChIKey	InChI	1.06	PXRSIUNAVCSATM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)n1ncc2c1nc(cc2C(=O)Nc3ccc4[nH]ncc4c3)C5CC5
SMILES	CACTVS	3.385	CC(C)n1ncc2c1nc(cc2C(=O)Nc3ccc4[nH]ncc4c3)C5CC5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)n1c2c(cn1)c(cc(n2)C3CC3)C(=O)Nc4ccc5c(c4)cn[nH]5
SMILES	OpenEye OEToolkits	2.0.7	CC(C)n1c2c(cn1)c(cc(n2)C3CC3)C(=O)Nc4ccc5c(c4)cn[nH]5

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