rimacalib Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

394.45

ALogP

4.31

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1cc(NC(=N)N2CCOCC2)on1
  • InChIKey: MYTIJGWONQOOLC-HNNXBMFYSA-N
    InChI=1S/C22H23FN4O2/c1-15(17-7-8-18(19(23)13-17)16-5-3-2-4-6-16)20-14-21(29-26-20)25-22(24)27-9-11-28-12-10-27/h2-8,13-15H,9-12H2,1H3,(H2,24,25)/t15-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2107772   ChEMBL
rimacalib

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