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canSAR1122957
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NAMES
    SMILES
    CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C2
    InChI
    InChI=1S/C22H26N6O2/c1-21(2,3)28-13-16-11-22(24-19(29)18(16)26-28)6-8-27(9-7-22)20(30)14-4-5-17-15(10-14)12-23-25-17/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,25)(H,24,29)
    MOLECULAR FORMULA
    C22H26N6O2
    CROSS REFERENCES
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    canSAR1122957

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.21
    AlogP 2.48
    HBond donors 2
    HBond acceptors 8
    Atoms 56
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1122957.