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Summary Geometry Related PDB entries

OAO

Summary

Name:	2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide
Formula:	C18 H17 Cl N4 O3
Formal charge:	0
Formula weight:	372.806 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide
OpenEye OEToolkits	2.0.7	2-[3-chloranyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-~{N}-(4-methylpyridin-3-yl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1nc(COc2cc(CC(=O)Nc3cnccc3C)cc(Cl)c2)on1
InChI	InChI	1.06	InChI=1S/C18H17ClN4O3/c1-11-3-4-20-9-16(11)22-17(24)7-13-5-14(19)8-15(6-13)25-10-18-21-12(2)23-26-18/h3-6,8-9H,7,10H2,1-2H3,(H,22,24)
InChIKey	InChI	1.06	ISRHBBIYTNRSMM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1noc(COc2cc(Cl)cc(CC(=O)Nc3cnccc3C)c2)n1
SMILES	CACTVS	3.385	Cc1noc(COc2cc(Cl)cc(CC(=O)Nc3cnccc3C)c2)n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3nc(no3)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3nc(no3)C

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건을2024-07-24부터공개중

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