canSAR2177132
FEATURES
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NAMES
    SMILES
    O=C(OC1C2CC3CC(C2)CC1C3)N1CCC[C@H]1c1nc(-c2cc[n+]([O-])cc2)cs1
    InChI
    InChI=1S/C23H27N3O3S/c27-23(29-21-17-9-14-8-15(11-17)12-18(21)10-14)26-5-1-2-20(26)22-24-19(13-30-22)16-3-6-25(28)7-4-16/h3-4,6-7,13-15,17-18,20-21H,1-2,5,8-12H2/t14?,15?,17?,18?,20-,21?/m0/s1
    MOLECULAR FORMULA
    C23H27N3O3S
    CROSS REFERENCES
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    canSAR2177132
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight425.18
    AlogP4.54
    HBond donors0
    HBond acceptors6
    Atoms57
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2177132.