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canSAR114536
FEATURES
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NAMES
    SMILES
    CSSCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C(C)=C1C2(C)C
    InChI
    InChI=1S/C44H59NO15S2/c1-22(2)17-26(45-39(53)60-40(5,6)7)32(49)38(52)56-27-19-44(54)36(58-37(51)25-15-13-12-14-16-25)34-42(10,28(47)18-29-43(34,21-55-29)59-24(4)46)35(50)33(57-30(48)20-62-61-11)31(23(27)3)41(44,8)9/h12-17,26-29,32-34,36,47,49,54H,18-21H2,1-11H3,(H,45,53)/t26-,27-,28-,29+,32+,33+,34-,36-,42+,43-,44+/m0/s1
    MOLECULAR FORMULA
    C44H59NO15S2
    CROSS REFERENCES
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    canSAR114536

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 905.33
    AlogP 4.42
    HBond donors 4
    HBond acceptors 16
    Atoms 121
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR114536.