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Summary Geometry Related PDB entries

3GJ

Summary

Name:	N-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide
Formula:	C19 H17 Cl2 N3 O4
Formal charge:	0
Formula weight:	422.262 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide
OpenEye OEToolkits	1.9.2	N-[3,5-bis(chloranyl)pyridin-4-yl]-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxy-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cncc(Cl)c1NC(=O)c3cc(OCc2onc(c2)CC)c(OC)cc3
InChI	InChI	1.03	InChI=1S/C19H17Cl2N3O4/c1-3-12-7-13(28-24-12)10-27-17-6-11(4-5-16(17)26-2)19(25)23-18-14(20)8-22-9-15(18)21/h4-9H,3,10H2,1-2H3,(H,22,23,25)
InChIKey	InChI	1.03	ARYYWFZNZSTMAU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCc1cc(COc2cc(ccc2OC)C(=O)Nc3c(Cl)cncc3Cl)on1
SMILES	CACTVS	3.385	CCc1cc(COc2cc(ccc2OC)C(=O)Nc3c(Cl)cncc3Cl)on1
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CCc1cc(on1)COc2cc(ccc2OC)C(=O)Nc3c(cncc3Cl)Cl
SMILES	OpenEye OEToolkits	1.9.2	CCc1cc(on1)COc2cc(ccc2OC)C(=O)Nc3c(cncc3Cl)Cl

218853

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