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canSAR782551
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NAMES
    SMILES
    CCC(CC)C[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
    InChI
    InChI=1S/C17H27N5O/c1-3-11(4-2)5-12-7-22(9-14(12)23)8-13-6-19-16-15(13)20-10-21-17(16)18/h6,10-12,14,19,23H,3-5,7-9H2,1-2H3,(H2,18,20,21)/t12-,14-/m0/s1
    MOLECULAR FORMULA
    C17H27N5O
    CROSS REFERENCES
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    canSAR782551

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 317.22
    AlogP 2.16
    HBond donors 4
    HBond acceptors 6
    Atoms 50
    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 canSAR782551.