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canSAR781144
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NAMES
    SMILES
    COc1cc(OC)c(N2C(=O)[C@@H](CCCc3ccccc3)[C@H]2c2ccccc2)c(OC)c1
    InChI
    InChI=1S/C27H29NO4/c1-30-21-17-23(31-2)26(24(18-21)32-3)28-25(20-14-8-5-9-15-20)22(27(28)29)16-10-13-19-11-6-4-7-12-19/h4-9,11-12,14-15,17-18,22,25H,10,13,16H2,1-3H3/t22-,25+/m0/s1
    MOLECULAR FORMULA
    C27H29NO4
    CROSS REFERENCES
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    canSAR781144

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.21
    AlogP 5.44
    HBond donors 0
    HBond acceptors 5
    Atoms 61
    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 canSAR781144.