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canSAR465738
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NAMES
    SMILES
    CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1
    InChI
    InChI=1S/C22H21Cl2N5S/c1-30-22-27-20(25-12-11-15-5-3-2-4-6-15)18-13-26-29(21(18)28-22)14-19(24)16-7-9-17(23)10-8-16/h2-10,13,19H,11-12,14H2,1H3,(H,25,27,28)
    MOLECULAR FORMULA
    C22H21Cl2N5S
    CROSS REFERENCES
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    canSAR465738

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.09
    AlogP 5.84
    HBond donors 1
    HBond acceptors 5
    Atoms 51
    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 canSAR465738.