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Chemistry

Mol. Mass

492.69

ALogP

4.26

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1C[C@@H]4CCCC[C@H]4CN5CCN(CC5)c6nsc7ccccc67
  • InChIKey: PQXKDMSYBGKCJA-CVTJIBDQSA-N
    InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1237021   ChEMBL
lurasidone *

CHEMBL1615372   ChEMBL
lurasidone hydrochloride

22IC88528T   NCATS
lurasidone *

Lurasidone   Wikipedia

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