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Chemistry

Mol. Mass

605.1

ALogP

6.35

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCOC(=O)C1=C(NC(=C([C@H]1c2ccccc2Cl)C(=O)Nc3ccccn3)C)c4ccc(cc4)n5c(C)nc6cnccc56
  • InChIKey: ODRYSCQFUGFOSU-SSEXGKCCSA-N
    InChI=1S/C34H29ClN6O3/c1-4-44-34(43)31-30(24-9-5-6-10-25(24)35)29(33(42)40-28-11-7-8-17-37-28)20(2)38-32(31)22-12-14-23(15-13-22)41-21(3)39-26-19-36-18-16-27(26)41/h5-19,30,38H,4H2,1-3H3,(H,37,40,42)/t30-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2105829   ChEMBL
modipafant

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