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canSAR75010
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NAMES
    SMILES
    COc1ccc(-c2[nH]c3ccccc3c2CCNC(=O)CCCc2ccc(O)cc2)cc1OC
    InChI
    InChI=1S/C28H30N2O4/c1-33-25-15-12-20(18-26(25)34-2)28-23(22-7-3-4-8-24(22)30-28)16-17-29-27(32)9-5-6-19-10-13-21(31)14-11-19/h3-4,7-8,10-15,18,30-31H,5-6,9,16-17H2,1-2H3,(H,29,32)
    MOLECULAR FORMULA
    C28H30N2O4
    CROSS REFERENCES
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    canSAR75010

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.22
    AlogP 5.24
    HBond donors 3
    HBond acceptors 6
    Atoms 64
    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 canSAR75010.