RO 3306

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 34
Total Number of Articles : 54
PubChem 136240579
Molecular Formula

C18H13N3OS2

SMILES

C1=CC2=C(C=CC(=C2)C=C3C(=O)NC(=NCC4=CC=CS4)S3)N=C1

InChI

InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)

synonyms
  • RO3306
  • RO 3306
  • CHEMBL5305651
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Properties
Property Value
MW 351.4 g/mol
HBD 1
HBA 5
Rotatable Bond Count 3
Exact Mass 351.05000439 g/mol
Monoisotopic Mass 351.05000439 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 548
xlogp 4
Topological Polar Surface Area 108