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Summary Geometry Related PDB entries

FOY

Summary

Name:	1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one
Formula:	C17 H16 N2 O2
Formal charge:	0
Formula weight:	280.321 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one
OpenEye OEToolkits	2.0.6	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(phenylmethyl)pyridin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2N(Cc1ccccc1)C=C(C=C2)c3c(C)onc3C
InChI	InChI	1.03	InChI=1S/C17H16N2O2/c1-12-17(13(2)21-18-12)15-8-9-16(20)19(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3
InChIKey	InChI	1.03	CIJOVPIWGFQZFF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1onc(C)c1C2=CN(Cc3ccccc3)C(=O)C=C2
SMILES	CACTVS	3.385	Cc1onc(C)c1C2=CN(Cc3ccccc3)C(=O)C=C2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3
SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3

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건을2024-07-17부터공개중

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