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canSAR842121
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NAMES
    SMILES
    O=C1CS/C(=N\N=C2C3CCCC2C(c2ccccc2)NC3c2ccccc2)N1
    InChI
    InChI=1S/C23H24N4OS/c28-19-14-29-23(24-19)27-26-22-17-12-7-13-18(22)21(16-10-5-2-6-11-16)25-20(17)15-8-3-1-4-9-15/h1-6,8-11,17-18,20-21,25H,7,12-14H2,(H,24,27,28)
    MOLECULAR FORMULA
    C23H24N4OS
    CROSS REFERENCES
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    canSAR842121

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.17
    AlogP 4.06
    HBond donors 2
    HBond acceptors 5
    Atoms 53
    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 canSAR842121.