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canSAR1202994
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](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O
    InChI
    InChI=1S/C37H61NO14/c1-20-17-25(15-16-39)33(34(46-9)26(41)18-28(42)47-21(2)13-11-10-12-14-27(20)50-24(5)40)52-36-31(43)30(38(7)8)32(22(3)49-36)51-29-19-37(6,45)35(44)23(4)48-29/h10-12,14,16,20-23,25-27,29-36,41,43-45H,13,15,17-19H2,1-9H3/b11-10+,14-12+/t20-,21-,22-,23+,25+,26-,27+,29+,30-,31-,32-,33+,34+,35+,36+,37-/m1/s1
    MOLECULAR FORMULA
    C37H61NO14
    CROSS REFERENCES
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    canSAR1202994

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 743.41
    AlogP 1.42
    HBond donors 4
    HBond acceptors 15
    Atoms 113
    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 canSAR1202994.