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canSAR1128477
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NAMES
    SMILES
    CC(C)Sc1nnc(-c2c(CNCC3CC3)c3ccccc3n2C)n1-c1ccccc1
    InChI
    InChI=1S/C25H29N5S/c1-17(2)31-25-28-27-24(30(25)19-9-5-4-6-10-19)23-21(16-26-15-18-13-14-18)20-11-7-8-12-22(20)29(23)3/h4-12,17-18,26H,13-16H2,1-3H3
    MOLECULAR FORMULA
    C25H29N5S
    CROSS REFERENCES
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    canSAR1128477

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.21
    AlogP 5.43
    HBond donors 1
    HBond acceptors 5
    Atoms 60
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1128477.