
API0233561
Ponesimod
Ponatinib Hydrochloride is an anticancer drug and a tyrosine kinase inhibitor.
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CAS No.
854107-55-4
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Synonyms
Ponesimod; 854107-55-4; ACT-128800
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CHEMBL ID
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Indications
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Molecule Type
Small molecule
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Compound CID
11363176
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Molecular Weight (g/mol)
461
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Molecular Formula
C23H25ClN2O4S
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InChI
InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1
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InChIKey
LPAUOXUZGSBGDU-ULCCENQXSA-N
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SMILES
CCCN=C1N(C(=O)/C(=C/C2=CC(=C(C=C2)OC[C@@H](CO)O)Cl)/S1)C3=CC=CC=C3C
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IUPAC Name
(5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
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Exact Mass (Da)
460.1223562
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Monoisotopic Mass (Da)
460.1223562
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