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canSAR784385
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NAMES
    SMILES
    CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)NC(Cc4ccccc4)C(=O)O)CC[C@]23C)C1(C)C
    InChI
    InChI=1S/C41H59NO5/c1-25-16-21-41(36(46)42-30(35(44)45)24-28-12-10-9-11-13-28)23-22-39(7)29(34(41)26(25)2)14-15-32-38(6)19-18-33(47-27(3)43)37(4,5)31(38)17-20-40(32,39)8/h9-14,25-26,30-34H,15-24H2,1-8H3,(H,42,46)(H,44,45)/t25-,26+,30?,31+,32-,33+,34+,38+,39-,40-,41+/m1/s1
    MOLECULAR FORMULA
    C41H59NO5
    CROSS REFERENCES
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    canSAR784385

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 645.44
    AlogP 8.39
    HBond donors 2
    HBond acceptors 6
    Atoms 106
    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 canSAR784385.