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canSAR1059562
FEATURES
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NAMES
    SMILES
    COc1ccc(-c2ccc3c(c2)CN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[C@H](C(=O)O)C3)cc1
    InChI
    InChI=1S/C28H30N2O5/c1-16-10-22(31)11-17(2)24(16)14-25(29)27(32)30-15-21-12-19(18-6-8-23(35-3)9-7-18)4-5-20(21)13-26(30)28(33)34/h4-12,25-26,31H,13-15,29H2,1-3H3,(H,33,34)/t25-,26-/m0/s1
    MOLECULAR FORMULA
    C28H30N2O5
    CROSS REFERENCES
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    canSAR1059562

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 474.22
    AlogP 3.59
    HBond donors 4
    HBond acceptors 7
    Atoms 65
    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 canSAR1059562.