canSAR1387359
FEATURES
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NAMES
    SMILES
    CCCCCC(=O)CC[C@]1(C)C2Cc3ccc(O)cc3[C@@]1(C)CCN2C.CS(=O)(=O)O
    InChI
    InChI=1S/C23H35NO2.CH4O3S/c1-5-6-7-8-18(25)11-12-23(3)21-15-17-9-10-19(26)16-20(17)22(23,2)13-14-24(21)4;1-5(2,3)4/h9-10,16,21,26H,5-8,11-15H2,1-4H3;1H3,(H,2,3,4)/t21?,22-,23-;/m1./s1
    MOLECULAR FORMULA
    C24H39NO5S
    CROSS REFERENCES
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    canSAR1387359
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight453.25
    AlogP4.35
    HBond donors2
    HBond acceptors6
    Atoms70
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387359.