Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

A1CNS

Summary
Name:6-bromo-N~4~-cyclohexyl-N~2~-(3,4-difluorophenyl)quinazoline-2,4-diamine
Formula:C20 H19 Br F2 N4
Formal charge:0
Formula weight:433.292 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.526-bromo-N~4~-cyclohexyl-N~2~-(3,4-difluorophenyl)quinazoline-2,4-diamine
OpenEye OEToolkits3.1.0.0~{N}2-[3,4-bis(fluoranyl)phenyl]-6-bromanyl-~{N}4-cyclohexyl-quinazoline-2,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Fc1ccc(cc1F)Nc1nc2ccc(Br)cc2c(NC2CCCCC2)n1
InChIInChI1.06InChI=1S/C20H19BrF2N4/c21-12-6-9-18-15(10-12)19(24-13-4-2-1-3-5-13)27-20(26-18)25-14-7-8-16(22)17(23)11-14/h6-11,13H,1-5H2,(H2,24,25,26,27)
InChIKeyInChI1.06XPSOVAYWMLKDBS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(Nc2nc(NC3CCCCC3)c4cc(Br)ccc4n2)cc1F
SMILESCACTVS3.385Fc1ccc(Nc2nc(NC3CCCCC3)c4cc(Br)ccc4n2)cc1F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c(cc1Nc2nc3ccc(cc3c(n2)NC4CCCCC4)Br)F)F
SMILESOpenEye OEToolkits3.1.0.0c1cc(c(cc1Nc2nc3ccc(cc3c(n2)NC4CCCCC4)Br)F)F

258222

PDB entries from 2026-08-19

PDB statisticsPDBj update infoContact PDBjnumon