canSAR1386725
FEATURES
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NAMES
    SMILES
    CCCN1CCCC2(C1)C(=O)Nc1ccccc12.O=S(=O)(O)O
    InChI
    InChI=1S/C15H20N2O.H2O4S/c1-2-9-17-10-5-8-15(11-17)12-6-3-4-7-13(12)16-14(15)18;1-5(2,3)4/h3-4,6-7H,2,5,8-11H2,1H3,(H,16,18);(H2,1,2,3,4)
    MOLECULAR FORMULA
    C15H22N2O5S
    CROSS REFERENCES
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    canSAR1386725
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight342.12
    AlogP1.73
    HBond donors3
    HBond acceptors7
    Atoms45
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1386725.