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canSAR1595206
FEATURES
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NAMES
    SMILES
    COC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2n1CCS2
    InChI
    InChI=1S/C16H13N3O2S/c1-21-15(20)12(10-17)9-13-14(11-5-3-2-4-6-11)18-16-19(13)7-8-22-16/h2-6,9H,7-8H2,1H3/b12-9+
    MOLECULAR FORMULA
    C16H13N3O2S
    CROSS REFERENCES
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    canSAR1595206

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 311.07
    AlogP 2.74
    HBond donors 0
    HBond acceptors 5
    Atoms 35
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1595206.