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canSAR1016335
FEATURES
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NAMES
    SMILES
    COc1cccc(C(=O)/C=C/c2ccc(OCCCCCC(=O)N[C@@H]3c4cc5c(cc4[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@H]4C(=O)OC[C@H]34)OCO5)c(OC)c2)c1
    InChI
    InChI=1S/C45H47NO12/c1-50-29-11-9-10-27(19-29)33(47)15-13-26-14-16-34(35(18-26)51-2)55-17-8-6-7-12-40(48)46-43-31-23-37-36(57-25-58-37)22-30(31)41(42-32(43)24-56-45(42)49)28-20-38(52-3)44(54-5)39(21-28)53-4/h9-11,13-16,18-23,32,41-43H,6-8,12,17,24-25H2,1-5H3,(H,46,48)/b15-13+/t32-,41+,42-,43+/m0/s1
    MOLECULAR FORMULA
    C45H47NO12
    CROSS REFERENCES
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    canSAR1016335

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 793.31
    AlogP 7.09
    HBond donors 1
    HBond acceptors 13
    Atoms 105
    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 canSAR1016335.