almitrine Report issue

Small molecule Experimental
ChEMBL DrugBank Drug Central KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

477.56

ALogP

4.26

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1
  • InChIKey: OBDOVFRMEYHSQB-UHFFFAOYSA-N
    InChI=1S/C26H29F2N7/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1183717   ChEMBL
almitrine

CHEMBL314610   ChEMBL
almitrine mesylate

Almitrine   Wikipedia

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