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Small molecule Experimental
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Chemistry

Mol. Mass

666.79

ALogP

7.22

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2
  • InChIKey: WDPFJWLDPVQCAJ-UHFFFAOYSA-N
    InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL204021   ChEMBL
darapladib

Darapladib   Wikipedia

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