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canSAR2095398
FEATURES
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NAMES
    SMILES
    C/C(=C\C(=O)O[C@H]1[C@@H]2[C@H](C)CC[C@H]2[C@]2(C)O[C@@]1(C(C)C)C[C@H]2NC(=O)CO)c1ccccc1
    InChI
    InChI=1S/C27H37NO5/c1-16(2)27-14-21(28-22(30)15-29)26(5,33-27)20-12-11-17(3)24(20)25(27)32-23(31)13-18(4)19-9-7-6-8-10-19/h6-10,13,16-17,20-21,24-25,29H,11-12,14-15H2,1-5H3,(H,28,30)/b18-13+/t17-,20-,21-,24-,25+,26+,27-/m1/s1
    MOLECULAR FORMULA
    C27H37NO5
    CROSS REFERENCES
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    canSAR2095398

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.27
    AlogP 3.73
    HBond donors 2
    HBond acceptors 6
    Atoms 70
    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 canSAR2095398.