modipafant Report issue

Small molecule Experimental
AACT ChEMBL MeSH PubChem

Back

Chemistry

Mol. Mass

605.1

ALogP

6.35

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@H]1c1ccccc1Cl
  • 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

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue