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canSAR2083146
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NAMES
    SMILES
    COc1nc(C)c(Nc2nc(Cl)cn([C@H](COC(=O)Nc3ccccc3)C3CC3)c2=O)cc1C
    InChI
    InChI=1S/C24H26ClN5O4/c1-14-11-18(15(2)26-22(14)33-3)28-21-23(31)30(12-20(25)29-21)19(16-9-10-16)13-34-24(32)27-17-7-5-4-6-8-17/h4-8,11-12,16,19H,9-10,13H2,1-3H3,(H,27,32)(H,28,29)/t19-/m1/s1
    MOLECULAR FORMULA
    C24H26ClN5O4
    CROSS REFERENCES
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    canSAR2083146

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 483.17
    AlogP 4.86
    HBond donors 2
    HBond acceptors 9
    Atoms 60
    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 canSAR2083146.