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canSAR1151853
FEATURES
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NAMES
    SMILES
    CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@@H](C)O3)[C@@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
    InChI
    InChI=1S/C42H67NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29,31,34-41,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27-,29+,31-,34+,35+,36-,37-,38+,39+,40+,41+,42-/m1/s1
    MOLECULAR FORMULA
    C42H67NO15
    CROSS REFERENCES
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    canSAR1151853

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 825.45
    AlogP 3.22
    HBond donors 2
    HBond acceptors 16
    Atoms 125
    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 canSAR1151853.