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Small molecule Experimental

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Chemistry

Mol. Mass

472.48

ALogP

3.1

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1
  • InChIKey: XXJXHXJWQSCNPX-UHFFFAOYSA-N
    InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3982723   ChEMBL
darovasertib

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