canSAR824293
FEATURES
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NAMES
    SMILES
    O=C(CCCN1CCN(c2ccc(O)cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21
    InChI
    InChI=1S/C28H37N3O2S/c32-23-13-11-22(12-14-23)31-18-16-30(17-19-31)15-5-10-27(33)29-28-24-7-2-1-6-21(24)20-34-26-9-4-3-8-25(26)28/h3-4,8-9,11-14,21,24,28,32H,1-2,5-7,10,15-20H2,(H,29,33)/t21-,24+,28+/m0/s1
    MOLECULAR FORMULA
    C28H37N3O2S
    CROSS REFERENCES
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    canSAR824293
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight479.26
    AlogP5.06
    HBond donors2
    HBond acceptors5
    Atoms71
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824293.