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canSAR1125658
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NAMES
    SMILES
    C/C(=C\c1ccccc1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3
    InChI
    InChI=1S/C19H18N2OS/c1-12(11-13-7-3-2-4-8-13)17-20-18(22)16-14-9-5-6-10-15(14)23-19(16)21-17/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,20,21,22)/b12-11+
    MOLECULAR FORMULA
    C19H18N2OS
    CROSS REFERENCES
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    canSAR1125658

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 322.11
    AlogP 4.42
    HBond donors 1
    HBond acceptors 3
    Atoms 41
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1125658.