ono-2952 Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

398.87

ALogP

4.95

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1cc(Cl)ccc1[C@H]1c2[nH]c3cccc(F)c3c2C2(CC2)CN1C(C)=O
  • InChIKey: ZBQMTQGDBFZUBG-NRFANRHFSA-N
    InChI=1S/C22H20ClFN2O2/c1-12(27)26-11-22(8-9-22)19-18-15(24)4-3-5-16(18)25-20(19)21(26)14-7-6-13(23)10-17(14)28-2/h3-7,10,21,25H,8-9,11H2,1-2H3/t21-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297311   ChEMBL
ono-2952

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