mgb-bp-3 Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

631.74

ALogP

4.65

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4cnc5ccccc5c4)cc3)cn2C)cc1C(=O)NCCN1CCOCC1
  • InChIKey: OEKXCVYZBVOWBR-BQYQJAHWSA-N
    InChI=1S/C36H37N7O4/c1-41-24-30(20-32(41)35(45)37-13-14-43-15-17-47-18-16-43)40-36(46)33-21-29(23-42(33)2)39-34(44)27-11-9-25(10-12-27)7-8-26-19-28-5-3-4-6-31(28)38-22-26/h3-12,19-24H,13-18H2,1-2H3,(H,37,45)(H,39,44)(H,40,46)/b8-7+
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL236345   ChEMBL
mgb-bp-3

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