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canSAR832830
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@]4(CC[C@]23C)OO[C@]2(CC[C@]3(C)[C@H]5C[C@H](OC(C)=O)[C@@]6(C)[C@@H](CC[C@@H]6[C@H](C)CCC(N)=O)[C@@H]5CC[C@@H]3C2)OO4)[C@@H]2CC[C@H]([C@H](C)CCC(N)=O)[C@@]12C
    InChI
    InChI=1S/C52H82N2O10/c1-29(9-19-45(53)57)37-15-17-39-35-13-11-33-27-51(23-21-47(33,5)41(35)25-43(49(37,39)7)59-31(3)55)61-63-52(64-62-51)24-22-48(6)34(28-52)12-14-36-40-18-16-38(30(2)10-20-46(54)58)50(40,8)44(26-42(36)48)60-32(4)56/h29-30,33-44H,9-28H2,1-8H3,(H2,53,57)(H2,54,58)/t29-,30-,33-,34-,35+,36+,37-,38-,39+,40+,41+,42+,43+,44+,47+,48+,49-,50-,51-,52-/m1/s1
    MOLECULAR FORMULA
    C52H82N2O10
    CROSS REFERENCES
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    canSAR832830

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 894.60
    AlogP 9.49
    HBond donors 4
    HBond acceptors 12
    Atoms 146
    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 canSAR832830.