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canSAR787288
FEATURES
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NAMES
    SMILES
    CC(C)CS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]21)OCO5
    InChI
    InChI=1S/C21H30N2O4S/c1-14(2)12-28(24,25)23-6-3-4-16-11-22-7-5-15-8-20-21(27-13-26-20)9-17(15)19(22)10-18(16)23/h8-9,14,16,18-19H,3-7,10-13H2,1-2H3/t16-,18+,19+/m1/s1
    MOLECULAR FORMULA
    C21H30N2O4S
    CROSS REFERENCES
    787288 logo

    canSAR787288

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.19
    AlogP 2.78
    HBond donors 0
    HBond acceptors 6
    Atoms 58
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR787288.