API0233076
Vismodegib
Vismodegib is a Hedgehog pathway inhibitor used for basal cell carcinoma.
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CAS No.
879085-55-9
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Synonyms
Vismodegib; 879085-55-9; GDC-0449
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CHEMBL ID
CHEMBL473417
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Molecule Type
Small molecule
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Compound CID
24776445
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Molecular Weight (g/mol)
421.3
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Molecular Formula
C19H14Cl2N2O3S
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InChI
InChI=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)
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InChIKey
BPQMGSKTAYIVFO-UHFFFAOYSA-N
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SMILES
CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl
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IUPAC Name
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
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Exact Mass (Da)
420.0102189
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Monoisotopic Mass (Da)
420.0102189
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