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canSAR780736
FEATURES
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NAMES
    SMILES
    C=C1[C@@H](OC(=O)CC(c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C
    InChI
    InChI=1S/C41H55NO13/c1-21-31(55-34(48)19-30(42(11)12)28-16-14-13-15-17-28)20-33(51-24(4)44)40(10)35(21)36(52-25(5)45)29-18-32(50-23(3)43)22(2)41(49,39(29,8)9)38(54-27(7)47)37(40)53-26(6)46/h13-17,29-31,33,35-38,49H,1,18-20H2,2-12H3/t29-,30?,31-,33-,35-,36+,37-,38-,40+,41-/m0/s1
    MOLECULAR FORMULA
    C41H55NO13
    CROSS REFERENCES
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    canSAR780736

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 769.37
    AlogP 4.53
    HBond donors 1
    HBond acceptors 14
    Atoms 110
    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 canSAR780736.