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Summary Geometry Related PDB entries

8BZ

Summary

Name:	N-(2-hydroxyethyl)-N,2-dimethyl-8-[[(4R)-5-methyl-3,4-dihydro-2H-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide
Formula:	C22 H26 N4 O3
Formal charge:	0
Formula weight:	394.467 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-(2-hydroxyethyl)-~{N},2-dimethyl-8-[[(4~{R})-5-methyl-3,4-dihydro-2~{H}-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C22H26N4O3/c1-14-5-4-6-19-20(14)17(7-10-29-19)24-18-11-16(22(28)25(3)8-9-27)13-26-12-15(2)23-21(18)26/h4-6,11-13,17,24,27H,7-10H2,1-3H3/t17-/m1/s1
InChIKey	InChI	1.03	YBHKBMJREUZHOV-QGZVFWFLSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(CCO)C(=O)c1cn2cc(C)nc2c(N[C@@H]3CCOc4cccc(C)c34)c1
SMILES	CACTVS	3.385	CN(CCO)C(=O)c1cn2cc(C)nc2c(N[CH]3CCOc4cccc(C)c34)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cccc2c1[C@@H](CCO2)Nc3cc(cn4c3nc(c4)C)C(=O)N(C)CCO
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc2c1C(CCO2)Nc3cc(cn4c3nc(c4)C)C(=O)N(C)CCO

225158

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