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canSAR672648
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NAMES
    SMILES
    C(=N/Nc1ncnc2sc3c(c12)CCCC3)\c1cccc2ccccc12
    InChI
    InChI=1S/C21H18N4S/c1-2-9-16-14(6-1)7-5-8-15(16)12-24-25-20-19-17-10-3-4-11-18(17)26-21(19)23-13-22-20/h1-2,5-9,12-13H,3-4,10-11H2,(H,22,23,25)/b24-12+
    MOLECULAR FORMULA
    C21H18N4S
    CROSS REFERENCES
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    canSAR672648

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 358.13
    AlogP 5.17
    HBond donors 1
    HBond acceptors 4
    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 canSAR672648.