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Summary Geometry Related PDB entries

MKP

Summary

Name:	3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide
Formula:	C21 H21 N5 O3
Formal charge:	0
Formula weight:	391.423 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide
OpenEye OEToolkits	2.0.7	3-(3-~{tert}-butyl-2-oxidanylidene-1~{H}-imidazo[4,5-b]pyridin-6-yl)-4-methyl-~{N}-(1,2-oxazol-3-yl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(ccc(c1c2cc3c(nc2)N(C(N3)=O)C(C)(C)C)C)C(Nc4ccon4)=O
InChI	InChI	1.03	InChI=1S/C21H21N5O3/c1-12-5-6-13(19(27)24-17-7-8-29-25-17)9-15(12)14-10-16-18(22-11-14)26(20(28)23-16)21(2,3)4/h5-11H,1-4H3,(H,23,28)(H,24,25,27)
InChIKey	InChI	1.03	OTRRQGBKFMGRTG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc(cc1c2cnc3N(C(=O)Nc3c2)C(C)(C)C)C(=O)Nc4ccon4
SMILES	CACTVS	3.385	Cc1ccc(cc1c2cnc3N(C(=O)Nc3c2)C(C)(C)C)C(=O)Nc4ccon4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1c2cc3c(nc2)N(C(=O)N3)C(C)(C)C)C(=O)Nc4ccon4
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1c2cc3c(nc2)N(C(=O)N3)C(C)(C)C)C(=O)Nc4ccon4

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