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Summary Geometry Related PDB entries

LF3

Summary

Name:	2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C16 H14 Cl N3 O3
Formal charge:	0
Formula weight:	331.754 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(4-methylpyridin-3-yl)acetamide
OpenEye OEToolkits	2.0.7	2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-~{N}-(4-methylpyridin-3-yl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccncc1NC(=O)CN1c2cc(Cl)ccc2OCC1=O
InChI	InChI	1.06	InChI=1S/C16H14ClN3O3/c1-10-4-5-18-7-12(10)19-15(21)8-20-13-6-11(17)2-3-14(13)23-9-16(20)22/h2-7H,8-9H2,1H3,(H,19,21)
InChIKey	InChI	1.06	SHDRXRMTUQTXFE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccncc1NC(=O)CN2C(=O)COc3ccc(Cl)cc23
SMILES	CACTVS	3.385	Cc1ccncc1NC(=O)CN2C(=O)COc3ccc(Cl)cc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)CN2c3cc(ccc3OCC2=O)Cl
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)CN2c3cc(ccc3OCC2=O)Cl

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