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canSAR782736
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NAMES
    SMILES
    CN(C)[C@@H]1C[C@@H]2c3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)O)cc4n3C[C@@H]2C1
    InChI
    InChI=1S/C29H34N2O2/c1-30(2)21-14-20-17-31-26-15-19(29(32)33)12-13-24(26)27(18-8-4-3-5-9-18)28(31)23-11-7-6-10-22(23)25(20)16-21/h6-7,10-13,15,18,20-21,25H,3-5,8-9,14,16-17H2,1-2H3,(H,32,33)/t20-,21-,25-/m0/s1
    MOLECULAR FORMULA
    C29H34N2O2
    CROSS REFERENCES
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    canSAR782736

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.26
    AlogP 6.49
    HBond donors 1
    HBond acceptors 4
    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 canSAR782736.