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canSAR1154808
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NAMES
    SMILES
    CCCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(CC)nn2C)CN1C(=O)c1coc2ccccc12
    InChI
    InChI=1S/C24H29N5O4/c1-4-10-25-22(30)20-12-16(26-23(31)19-11-15(5-2)27-28(19)3)13-29(20)24(32)18-14-33-21-9-7-6-8-17(18)21/h6-9,11,14,16,20H,4-5,10,12-13H2,1-3H3,(H,25,30)(H,26,31)/t16-,20+/m1/s1
    MOLECULAR FORMULA
    C24H29N5O4
    CROSS REFERENCES
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    canSAR1154808

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.22
    AlogP 2.27
    HBond donors 2
    HBond acceptors 9
    Atoms 62
    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 canSAR1154808.