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canSAR1595500
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NAMES
    SMILES
    Cc1ccc(NC(S)=NN=C2CCCCc3ccccc32)cc1
    InChI
    InChI=1S/C19H21N3S/c1-14-10-12-16(13-11-14)20-19(23)22-21-18-9-5-3-7-15-6-2-4-8-17(15)18/h2,4,6,8,10-13H,3,5,7,9H2,1H3,(H2,20,22,23)
    MOLECULAR FORMULA
    C19H21N3S
    CROSS REFERENCES
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    canSAR1595500

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 323.15
    AlogP 4.82
    HBond donors 1
    HBond acceptors 3
    Atoms 44
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1595500.