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canSAR1616759
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NAMES
    SMILES
    Cc1cc(Nc2cc(C3CC3)ccn2)nc(-c2ccc(C(C)(O)C3CCC(C(=O)O)CC3)nc2)c1
    InChI
    InChI=1S/C28H32N4O3/c1-17-13-23(31-26(14-17)32-25-15-20(11-12-29-25)18-3-4-18)21-7-10-24(30-16-21)28(2,35)22-8-5-19(6-9-22)27(33)34/h7,10-16,18-19,22,35H,3-6,8-9H2,1-2H3,(H,33,34)(H,29,31,32)
    MOLECULAR FORMULA
    C28H32N4O3
    CROSS REFERENCES
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    canSAR1616759

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 472.25
    AlogP 5.57
    HBond donors 3
    HBond acceptors 7
    Atoms 67
    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 canSAR1616759.