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Small molecule Experimental
AACT DrugBank MeSH PubChem

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Chemistry

Mol. Mass

479.97

ALogP

4.86

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C#Cc1cccc(-c2cc(=O)n(C)c3ccc([C@](O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
  • InChIKey: JAHDAIPFBPPQHQ-GDLZYMKVSA-N
    InChI=1S/C29H22ClN3O2/c1-4-19-6-5-7-20(14-19)24-16-28(34)33(3)26-13-10-22(15-25(24)26)29(35,27-17-31-18-32(27)2)21-8-11-23(30)12-9-21/h1,5-18,35H,2-3H3/t29-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297367   ChEMBL
cp-609754

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