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Small molecule Experimental First in Class
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

638.83

ALogP

5.91

Rule of 5

No

Rule of 3

No
Details
  • SMILES: NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1
  • InChIKey: DHMTURDWPRKSOA-RUZDIDTESA-N
    InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL298734   ChEMBL
lonafarnib

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