vemurafenib (zelboraf) Report issue

Small molecule Orphan Drug FDA Approved FDA First in Class Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem

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Chemistry

Mol. Mass

489.922

ALogP

5.54

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(Cl)C=C4)=C(F)C=C1
  • InChIKey: GPXBXXGIAQBQNI-UHFFFAOYSA-N
    1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1229517   ChEMBL
vemurafenib

207SMY3FQT   NCATS
vemurafenib *

Vemurafenib   Wikipedia

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