API0233361
Entacapone
Ensartinib Hydrochloride is an anticancer drug (ALK inhibitor).
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CAS No.
130929-57-6
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Synonyms
ENTACAPONE; 130929-57-6; Comtan
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CHEMBL ID
CHEMBL953
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Molecule Type
Small molecule
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Compound CID
5281081
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Molecular Weight (g/mol)
305.29
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Molecular Formula
C14H15N3O5
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InChI
InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+
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InChIKey
JRURYQJSLYLRLN-BJMVGYQFSA-N
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SMILES
CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N
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IUPAC Name
(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
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Exact Mass (Da)
305.10117059
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Monoisotopic Mass (Da)
305.10117059
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