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canSAR18641
FEATURES
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NAMES
    SMILES
    C=Cc1ccc([C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@H]4[C@](C)(C(=O)[C@H](O)C(=C2C)C3(C)C)[C@@H](O)C[C@H]2OC[C@]24OC(C)=O)cc1
    InChI
    InChI=1S/C45H55NO14/c1-10-25-16-18-26(19-17-25)32(46-40(54)60-41(4,5)6)34(50)39(53)57-28-21-45(55)37(58-38(52)27-14-12-11-13-15-27)35-43(9,36(51)33(49)31(23(28)2)42(45,7)8)29(48)20-30-44(35,22-56-30)59-24(3)47/h10-19,28-30,32-35,37,48-50,55H,1,20-22H2,2-9H3,(H,46,54)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1
    MOLECULAR FORMULA
    C45H55NO14
    CROSS REFERENCES
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    canSAR18641

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 833.36
    AlogP 3.90
    HBond donors 5
    HBond acceptors 15
    Atoms 115
    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 canSAR18641.