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canSAR1061168
FEATURES
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NAMES
    SMILES
    Cc1cc2c(c(=O)o1)C=C1CC[C@H](C(C)CNCc3ccccc3O)C[C@@H]1O2
    InChI
    InChI=1S/C23H27NO4/c1-14(12-24-13-18-5-3-4-6-20(18)25)16-7-8-17-10-19-22(28-21(17)11-16)9-15(2)27-23(19)26/h3-6,9-10,14,16,21,24-25H,7-8,11-13H2,1-2H3/t14?,16-,21-/m0/s1
    MOLECULAR FORMULA
    C23H27NO4
    CROSS REFERENCES
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    canSAR1061168

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 381.19
    AlogP 4.02
    HBond donors 2
    HBond acceptors 5
    Atoms 55
    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 canSAR1061168.