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canSAR778380
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](ON(C)C)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)C(C)(C)C)[C@@H]4OC(=O)O[C@]4([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C
    InChI
    InChI=1S/C44H60N2O15/c1-21(2)18-25(45-38(53)40(5,6)7)29(49)37(52)56-30-22(3)28-31(61-46(11)12)33(50)42(10)26(48)19-27-43(20-55-27,59-23(4)47)32(42)35(57-36(51)24-16-14-13-15-17-24)44(41(28,8)9)34(30)58-39(54)60-44/h13-17,21,25-27,29-32,34-35,48-49H,18-20H2,1-12H3,(H,45,53)/t25-,26-,27+,29+,30+,31+,32-,34-,35-,42+,43-,44+/m0/s1
    MOLECULAR FORMULA
    C44H60N2O15
    CROSS REFERENCES
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    canSAR778380

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 856.40
    AlogP 3.22
    HBond donors 3
    HBond acceptors 17
    Atoms 121
    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 canSAR778380.