CHEMBL3394092

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 8
Total Number of Articles : 9
PubChem 101913643
Molecular Formula

C25H26BrClN6OS

SMILES

C1COCCN1CCSC2=NC(=C3C=NN(C3=N2)CC(C4=CC=CC=C4)Cl)NC5=CC(=CC=C5)Br

InChI

InChI=1S/C25H26BrClN6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)

synonyms
  • SI306
  • CHEMBL3394092
  • SCHEMBL17726038
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Properties
Property Value
MW 573.9 g/mol
HBD 1
HBA 7
Rotatable Bond Count 9
Exact Mass 572.07607 g/mol
Monoisotopic Mass 572.07607 g/mol
Heavy Atom Count 35
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 643
xlogp 5.3
Topological Polar Surface Area 93.4