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canSAR1141689
FEATURES
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NAMES
    SMILES
    C=C(C)[C@@H]1[C@@H]2O[C@@H]2[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]24C)C[C@]13CCC(=O)O
    InChI
    InChI=1S/C30H44O5/c1-17(2)22-23-24(35-23)25-28(6)12-10-20(18(3)8-7-9-19(4)26(33)34)27(28,5)14-15-30(25)16-29(22,30)13-11-21(31)32/h9,18,20,22-25H,1,7-8,10-16H2,2-6H3,(H,31,32)(H,33,34)/b19-9+/t18-,20-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1
    MOLECULAR FORMULA
    C30H44O5
    CROSS REFERENCES
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    canSAR1141689

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.32
    AlogP 6.48
    HBond donors 2
    HBond acceptors 5
    Atoms 79
    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 canSAR1141689.