molibresib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 125
Total Number of Articles : 100
PubChem 46943432
Molecular Formula

C22H22ClN5O2

SMILES

CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1

synonyms
  • 1260907-17-2
  • molibresib
  • I-BET-762
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Properties
Property Value
MW 423.9 g/mol
HBD 1
HBA 5
Rotatable Bond Count 5
Exact Mass 423.1462027 g/mol
Monoisotopic Mass 423.1462027 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 639
xlogp 2.9
Topological Polar Surface Area 81.4