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canSAR831046
FEATURES
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NAMES
    SMILES
    CC(=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](NC(=O)c3ccc(-c4ccccc4)cc3)c3ccccc3)C(C)=C1C2(C)C
    InChI
    InChI=1S/C53H55NO14/c1-29-37(66-49(62)42(58)41(34-18-12-8-13-19-34)54-47(60)35-24-22-33(23-25-35)32-16-10-7-11-17-32)27-53(63)46(67-48(61)36-20-14-9-15-21-36)44-51(6,38(57)26-39-52(44,28-64-39)68-31(3)56)45(59)43(65-30(2)55)40(29)50(53,4)5/h7-25,37-39,41-44,46,57-58,63H,26-28H2,1-6H3,(H,54,60)/t37-,38-,39+,41-,42+,43+,44-,46-,51+,52-,53+/m0/s1
    MOLECULAR FORMULA
    C53H55NO14
    CROSS REFERENCES
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    canSAR831046

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 929.36
    AlogP 5.40
    HBond donors 4
    HBond acceptors 15
    Atoms 123
    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 canSAR831046.