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canSAR778538
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NAMES
    SMILES
    Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCCC2)c2ccccc2)CC1
    InChI
    InChI=1S/C27H41N5O/c1-19(2)26-30-29-21(4)32(26)24-14-16-31(17-15-24)20(3)18-25(22-10-6-5-7-11-22)28-27(33)23-12-8-9-13-23/h5-7,10-11,19-20,23-25H,8-9,12-18H2,1-4H3,(H,28,33)/t20?,25-/m0/s1
    MOLECULAR FORMULA
    C27H41N5O
    CROSS REFERENCES
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    canSAR778538

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.33
    AlogP 5.17
    HBond donors 1
    HBond acceptors 6
    Atoms 74
    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 canSAR778538.