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Chemistry

Mol. Mass

479.48

ALogP

3.23

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(OC[C@@H](O)CO)cc1
  • InChIKey: KRBMOYIWQCZVHA-INIZCTEOSA-N
    InChI=1S/C22H20F3N3O4S/c1-21(2)19(31)27(15-4-3-13(10-26)18(9-15)22(23,24)25)20(33)28(21)14-5-7-17(8-6-14)32-12-16(30)11-29/h3-9,16,29-30H,11-12H2,1-2H3/t16-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4650276   ChEMBL
shr3680

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