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Summary Geometry Related PDB entries

O3I

Summary

Name:	2-[(1M)-5-chloro-2',3'-difluoro-4'-methyl[1,1'-biphenyl]-3-yl]-N-(4-methylpyridin-3-yl)acetamide
Formula:	C21 H17 Cl F2 N2 O
Formal charge:	0
Formula weight:	386.822 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-[(1M)-5-chloro-2',3'-difluoro-4'-methyl[1,1'-biphenyl]-3-yl]-N-(4-methylpyridin-3-yl)acetamide
OpenEye OEToolkits	2.0.7	2-[3-[2,3-bis(fluoranyl)-4-methyl-phenyl]-5-chloranyl-phenyl]-~{N}-(4-methylpyridin-3-yl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cnccc1C)Cc1cc(cc(Cl)c1)c1ccc(C)c(F)c1F
InChI	InChI	1.06	InChI=1S/C21H17ClF2N2O/c1-12-5-6-25-11-18(12)26-19(27)9-14-7-15(10-16(22)8-14)17-4-3-13(2)20(23)21(17)24/h3-8,10-11H,9H2,1-2H3,(H,26,27)
InChIKey	InChI	1.06	KWOZOQHUQWBGBH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc(c(F)c1F)c2cc(Cl)cc(CC(=O)Nc3cnccc3C)c2
SMILES	CACTVS	3.385	Cc1ccc(c(F)c1F)c2cc(Cl)cc(CC(=O)Nc3cnccc3C)c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1F)F)c2cc(cc(c2)Cl)CC(=O)Nc3cnccc3C
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1F)F)c2cc(cc(c2)Cl)CC(=O)Nc3cnccc3C

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