canSAR1388083
FEATURES
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NAMES
    SMILES
    CC(C)(C)C(C)(O)CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1.CS(=O)(=O)O
    InChI
    InChI=1S/C25H39NO2.CH4O3S/c1-23(2,3)25(5,28)11-10-20-22-14-18-8-9-19(27)15-21(18)24(20,4)12-13-26(22)16-17-6-7-17;1-5(2,3)4/h8-9,15,17,20,22,27-28H,6-7,10-14,16H2,1-5H3;1H3,(H,2,3,4)/t20-,22-,24+,25?;/m1./s1
    MOLECULAR FORMULA
    C26H43NO5S
    CROSS REFERENCES
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    canSAR1388083
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight481.29
    AlogP4.39
    HBond donors3
    HBond acceptors6
    Atoms76
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1388083.