Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

XA5

Summary
Name:N,N'-di(acridin-9-yl)butane-1,4-diamine
Formula:C30 H26 N4
Formal charge:0
Formula weight:442.554 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N},~{N}'-di(acridin-9-yl)butane-1,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C30H26N4/c1-5-15-25-21(11-1)29(22-12-2-6-16-26(22)33-25)31-19-9-10-20-32-30-23-13-3-7-17-27(23)34-28-18-8-4-14-24(28)30/h1-8,11-18H,9-10,19-20H2,(H,31,33)(H,32,34)
InChIKeyInChI1.06MKFRLGCMWOIRSO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C(CCNc1c2ccccc2nc3ccccc13)CNc4c5ccccc5nc6ccccc46
SMILESCACTVS3.385C(CCNc1c2ccccc2nc3ccccc13)CNc4c5ccccc5nc6ccccc46
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)c(c3ccccc3n2)NCCCCNc4c5ccccc5nc6c4cccc6
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)c(c3ccccc3n2)NCCCCNc4c5ccccc5nc6c4cccc6

224931

PDB entries from 2024-09-11

PDB statisticsPDBj update infoContact PDBjnumon