bitopertin Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

543.46

ALogP

3.94

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F
  • InChIKey: YUUGYIUSCYNSQR-LBPRGKRZSA-N
    InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1171829   ChEMBL
bitopertin *

CHEMBL1169880   ChEMBL
bitopertin

Bitopertin   Wikipedia

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