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canSAR394358
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3C(Nc3ccc(C#N)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(O)c1O
    InChI
    InChI=1S/C27H22N2O7/c1-33-22-7-14(6-19(30)26(22)31)23-16-8-20-21(36-12-35-20)9-17(16)25(18-11-34-27(32)24(18)23)29-15-4-2-13(10-28)3-5-15/h2-9,18,23-25,29-31H,11-12H2,1H3/t18-,23+,24-,25?/m0/s1
    MOLECULAR FORMULA
    C27H22N2O7
    CROSS REFERENCES
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    canSAR394358

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 486.14
    AlogP 3.79
    HBond donors 3
    HBond acceptors 9
    Atoms 58
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR394358.