Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

7PN

Summary
Name:N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide
Formula:C19 H14 F N O
Formal charge:0
Formula weight:291.319 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H14FNO/c20-15-9-6-14(7-10-15)19(22)21-17-11-8-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11H,4-5H2,(H,21,22)
InChIKeyInChI1.06VROYHHCUXRMIQY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(cc1)C(=O)Nc2ccc3CCc4cccc2c34
SMILESCACTVS3.385Fc1ccc(cc1)C(=O)Nc2ccc3CCc4cccc2c34
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c3c(ccc(c3c1)NC(=O)c4ccc(cc4)F)CC2
SMILESOpenEye OEToolkits2.0.7c1cc2c3c(ccc(c3c1)NC(=O)c4ccc(cc4)F)CC2

224931

PDB entries from 2024-09-11

PDB statisticsPDBj update infoContact PDBjnumon