CHEMBL2180955

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 135566746
Molecular Formula

C21H28N4O4S

SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(CCC4)C(=O)N3

InChI

InChI=1S/C21H28N4O4S/c1-3-13-29-19-8-7-15(30(27,28)25-11-9-24(2)10-12-25)14-17(19)20-22-18-6-4-5-16(18)21(26)23-20/h7-8,14H,3-6,9-13H2,1-2H3,(H,22,23,26)

synonyms
  • CHEMBL2180955
  • 2-{5-[(4-Methylpiperazin-1-Yl)sulfonyl]-2-Propoxyphenyl}-3,5,6,7-Tetrahydro-4h-Cyclopenta[d]pyrimidin-4-One
  • BDBM50399911
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Properties
Property Value
MW 432.5 g/mol
HBD 1
HBA 7
Rotatable Bond Count 6
Exact Mass 432.18312656 g/mol
Monoisotopic Mass 432.18312656 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 824
xlogp 1.4
Topological Polar Surface Area 99.7