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Chemistry

Mol. Mass

580.09

ALogP

7.09

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)c5cc(OC(=O)c6ccccc6)ccc5Cl
  • InChIKey: JMGXJHWTVBGOKG-UHFFFAOYSA-N
    InChI=1S/C33H30ClN5O3/c1-22-19-24(28-21-27(13-14-29(28)34)42-32(40)23-7-3-2-4-8-23)20-30-31(22)36-33(38-37-30)35-25-9-11-26(12-10-25)41-18-17-39-15-5-6-16-39/h2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,35,36,38)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL403989   ChEMBL
tg100-801

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