tak-071 Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

421.47

ALogP

3.02

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cc1c(Cc2ccc(-n3cccn3)cc2)cc2c(c1F)CN([C@H]1COCC[C@@H]1O)C2=O
  • InChIKey: WFSARWQASFQZMG-VXKWHMMOSA-N
    InChI=1S/C24H24FN3O3/c1-15-17(11-16-3-5-18(6-4-16)28-9-2-8-26-28)12-19-20(23(15)25)13-27(24(19)30)21-14-31-10-7-22(21)29/h2-6,8-9,12,21-22,29H,7,10-11,13-14H2,1H3/t21-,22-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4594351   ChEMBL
tak-071

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