canSAR2099895
FEATURES
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NAMES
    SMILES
    O=C(OC1C2CC3CC(C2)CC1C3)N1CCC[C@H]1c1nc(-c2ccncc2)cs1
    InChI
    InChI=1S/C23H27N3O2S/c27-23(28-21-17-9-14-8-15(11-17)12-18(21)10-14)26-7-1-2-20(26)22-25-19(13-29-22)16-3-5-24-6-4-16/h3-6,13-15,17-18,20-21H,1-2,7-12H2/t14?,15?,17?,18?,20-,21?/m0/s1
    MOLECULAR FORMULA
    C23H27N3O2S
    CROSS REFERENCES
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    canSAR2099895
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight409.18
    AlogP5.30
    HBond donors0
    HBond acceptors5
    Atoms56
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2099895.