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Chemistry

Mol. Mass

361.45

ALogP

3.26

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc3cccnc3)c4oc5ccccc5c4
  • InChIKey: OXKRFEWMSWPKKV-GHTZIAJQSA-N
    InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1258006   ChEMBL
bradanicline

Bradanicline   Wikipedia

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