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canSAR829314
FEATURES
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NAMES
    SMILES
    CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)C(O)C[C@H](O)[C@H](C)C(O)C(C)C)OC1=O
    InChI
    InChI=1S/C35H60O9/c1-19(2)31(38)24(7)27(36)18-28(37)25(8)33(40)26(9)34-29(42-10)14-12-13-20(3)15-22(5)32(39)23(6)16-21(4)17-30(43-11)35(41)44-34/h12-14,16-17,19,22-29,31-34,36-40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,30-17-/t22-,23+,24-,25+,26-,27-,28?,29-,31?,32-,33-,34+/m0/s1
    MOLECULAR FORMULA
    C35H60O9
    CROSS REFERENCES
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    canSAR829314

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 624.42
    AlogP 4.33
    HBond donors 5
    HBond acceptors 9
    Atoms 104
    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 canSAR829314.