CP 31398

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 51
Total Number of Articles : 51
PubChem 71311940
Molecular Formula

C22H30Cl2N4O2

SMILES

CN(C)CCCNC1=NC(=NC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)OC.O.Cl.Cl

InChI

InChI=1S/C22H26N4O.2ClH.H2O/c1-26(2)16-6-15-23-22-19-7-4-5-8-20(19)24-21(25-22)14-11-17-9-12-18(27-3)13-10-17;;;/h4-5,7-14H,6,15-16H2,1-3H3,(H,23,24,25);2*1H;1H2/b14-11+;;;

synonyms
  • CP 31398
  • CP-31398 dihydrochloride hydrate, >=98% (HPLC)
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Properties
Property Value
MW 453.4 g/mol
HBD 4
HBA 6
Rotatable Bond Count 8
Exact Mass 452.1745816 g/mol
Monoisotopic Mass 452.1745816 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 4
Complexity 448
xlogp None
Topological Polar Surface Area 51.3