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Chemistry

Mol. Mass

421.297

ALogP

4.71

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)NC2=CC(=C(Cl)C=C2)C3=NC=CC=C3
  • InChIKey: BPQMGSKTAYIVFO-UHFFFAOYSA-N
    1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL473417   ChEMBL
vismodegib

25X868M3DS   NCATS
vismodegib *

Vismodegib   Wikipedia

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