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canSAR778305
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NAMES
    SMILES
    CC1(C)N2Cc3[nH]c4ccccc4c3C[C@H]2C(=O)N1[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
    InChI
    InChI=1S/C33H32N4O3/c1-33(2)36-19-28-25(24-13-7-9-15-27(24)35-28)17-29(36)31(38)37(33)30(32(39)40-20-21-10-4-3-5-11-21)16-22-18-34-26-14-8-6-12-23(22)26/h3-15,18,29-30,34-35H,16-17,19-20H2,1-2H3/t29-,30-/m0/s1
    MOLECULAR FORMULA
    C33H32N4O3
    CROSS REFERENCES
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    canSAR778305

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 532.25
    AlogP 5.31
    HBond donors 2
    HBond acceptors 7
    Atoms 72
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR778305.