ET bromodomain inhibitor

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 185
Total Number of Articles : 274
PubChem 86277843
Molecular Formula

C23H23ClN4O3

SMILES

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

InChI

InChI=1S/C23H23ClN4O3/c1-5-17(23(29)31-4)21-22-27-26-13(2)28(22)19-11-10-16(30-3)12-18(19)20(25-21)14-6-8-15(24)9-7-14/h6-12,17,21H,5H2,1-4H3/t17-,21+/m1/s1

synonyms
  • ET bromodomain inhibitor
  • Methyl (2r)-2-[(4s)-6-(4-Chlorophenyl)-8-Methoxy-1-Methyl-4h-[1,2,4]triazolo[4,3-A][1,4]benzodiazepin-4-Yl]butanoate
  • 31P
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Properties
Property Value
MW 438.9 g/mol
HBD 0
HBA 6
Rotatable Bond Count 6
Exact Mass 438.1458683 g/mol
Monoisotopic Mass 438.1458683 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 669
xlogp 4
Topological Polar Surface Area 78.6