deleobuvir Report issue

Small molecule Experimental
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

653.58

ALogP

6.85

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cn1c(c2ncc(Br)cn2)c(C3CCCC3)c4ccc(cc14)C(=O)NC5(CCC5)c6nc7ccc(\C=C\C(=O)O)cc7n6C
  • InChIKey: BMAIGAHXAJEULY-UKTHLTGXSA-N
    InChI=1S/C34H33BrN6O3/c1-40-26-17-22(10-11-24(26)29(21-6-3-4-7-21)30(40)31-36-18-23(35)19-37-31)32(44)39-34(14-5-15-34)33-38-25-12-8-20(9-13-28(42)43)16-27(25)41(33)2/h8-13,16-19,21H,3-7,14-15H2,1-2H3,(H,39,44)(H,42,43)/b13-9+
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2403318   ChEMBL
deleobuvir *

CHEMBL3137315   ChEMBL
deleobuvir sodium

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