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canSAR1442779
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NAMES
    SMILES
    O=C(CSc1nc2ccccc2nc1N1CCCCC1)N1CCN(c2ccccc2)CC1
    InChI
    InChI=1S/C25H29N5OS/c31-23(29-17-15-28(16-18-29)20-9-3-1-4-10-20)19-32-25-24(30-13-7-2-8-14-30)26-21-11-5-6-12-22(21)27-25/h1,3-6,9-12H,2,7-8,13-19H2
    MOLECULAR FORMULA
    C25H29N5OS
    CROSS REFERENCES
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    canSAR1442779

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.21
    AlogP 4.06
    HBond donors 0
    HBond acceptors 6
    Atoms 61
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1442779.