C188-9

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 16
Total Number of Articles : 17
PubChem 1324494
Molecular Formula

C27H21NO5S

SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O

InChI

InChI=1S/C27H21NO5S/c1-33-18-11-13-19(14-12-18)34(31,32)28-24-16-23(27(30)22-9-5-4-8-21(22)24)26-20-7-3-2-6-17(20)10-15-25(26)29/h2-16,28-30H,1H3

synonyms
  • C188-9
  • 432001-19-9
  • TTI-101
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Properties
Property Value
MW 471.5 g/mol
HBD 3
HBA 6
Rotatable Bond Count 5
Exact Mass 471.11404394 g/mol
Monoisotopic Mass 471.11404394 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 776
xlogp 5.8
Topological Polar Surface Area 104