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canSAR1131157
FEATURES
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NAMES
    SMILES
    COC(=O)CNC(=O)C(CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)c1cccc(OC)c1OC
    InChI
    InChI=1S/C49H72N2O14/c1-27-15-17-34-29(3)37(58-44-48(34)32(27)21-23-46(5,60-44)62-64-48)14-11-25-51(43(54)31-12-10-13-39(55-7)41(31)57-9)36(42(53)50-26-40(52)56-8)19-20-38-30(4)35-18-16-28(2)33-22-24-47(6)61-45(59-38)49(33,35)65-63-47/h10,12-13,27-30,32-38,44-45H,11,14-26H2,1-9H3,(H,50,53)/t27-,28-,29-,30-,32+,33+,34+,35+,36?,37-,38-,44-,45-,46-,47-,48-,49-/m1/s1
    MOLECULAR FORMULA
    C49H72N2O14
    CROSS REFERENCES
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    canSAR1131157

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 912.50
    AlogP 6.87
    HBond donors 1
    HBond acceptors 16
    Atoms 137
    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 canSAR1131157.