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

P77

Summary
Name:2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine
Formula:C20 H24 Cl N3 S
Formal charge:0
Formula weight:373.943 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine
OpenEye OEToolkits1.7.02-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(C)CC4
SMILES_CANONICALCACTVS3.370CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1
SMILESCACTVS3.370CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1
SMILES_CANONICALOpenEye OEToolkits1.7.0CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl
SMILESOpenEye OEToolkits1.7.0CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl
InChIInChI1.03InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
InChIKeyInChI1.03WIKYUJGCLQQFNW-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon