canSAR1774367
FEATURES
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NAMES
    SMILES
    CCO[C@@]12CCC(=O)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(CCc1ccccc1)C2C5
    InChI
    InChI=1S/C27H31NO4/c1-3-31-27-13-11-22(30)25(2)26(27)14-16-28(15-12-18-7-5-4-6-8-18)21(27)17-19-9-10-20(29)24(32-25)23(19)26/h4-10,21,29H,3,11-17H2,1-2H3/t21?,25-,26-,27+/m0/s1
    MOLECULAR FORMULA
    C27H31NO4
    CROSS REFERENCES
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    canSAR1774367
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight433.23
    AlogP3.79
    HBond donors1
    HBond acceptors5
    Atoms63
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1774367.