API0232784
Apalutamide
Apalutamide is an anticancer drug (for prostate cancer).
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CAS No.
956104-40-8
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Synonyms
apalutamide; ARN-509; 956104-40-8
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CHEMBL ID
CHEMBL3183409
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Molecule Type
Small molecule
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Compound CID
24872560
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Molecular Weight (g/mol)
477.4
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Molecular Formula
C21H15F4N5O2S
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InChI
InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)
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InChIKey
HJBWBFZLDZWPHF-UHFFFAOYSA-N
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SMILES
CNC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F)F
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IUPAC Name
4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide
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Exact Mass (Da)
477.08825856
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Monoisotopic Mass (Da)
477.08825856
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