canSAR824177
FEATURES
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NAMES
    SMILES
    C[C@@H]1CC[C@H]2[C@@H](C)C(Nc3ccc(Br)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
    InChI
    InChI=1S/C21H28BrNO4/c1-12-4-9-17-13(2)18(23-15-7-5-14(22)6-8-15)24-19-21(17)16(12)10-11-20(3,25-19)26-27-21/h5-8,12-13,16-19,23H,4,9-11H2,1-3H3/t12-,13-,16+,17+,18?,19-,20-,21-/m1/s1
    MOLECULAR FORMULA
    C21H28BrNO4
    CROSS REFERENCES
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    canSAR824177
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight437.12
    AlogP5.07
    HBond donors1
    HBond acceptors5
    Atoms55
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824177.