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Chemistry

Mol. Mass

433.566

ALogP

4.72

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C1NC2=C(C=C1)C=CC(OCCCCN3CCN(CC3)C4=CC=CC5=C4C=CS5)=C2
  • InChIKey: ZKIAIYBUSXZPLP-UHFFFAOYSA-N
    1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2105760   ChEMBL
brexpiprazole

2J3YBM1K8C   NCATS
brexpiprazole *

Brexpiprazole   Wikipedia

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