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Small molecule Experimental
AACT ChEMBL Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

534.49

ALogP

4.97

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1
  • InChIKey: XDAOLTSRNUSPPH-XMMPIXPASA-N
    InChI=1S/C25H25F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-4-2-17(3-5-18)30-12-10-20(11-13-30)36-19-6-8-21(9-7-19)37-25(26,27)28/h2-9,14,20H,10-13,15-16H2,1H3/t24-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL218650   ChEMBL
delamanid

Delamanid   Wikipedia

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