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canSAR1100105
FEATURES
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NAMES
    SMILES
    CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1
    InChI
    InChI=1S/C27H34N2O2S/c1-6-28(7-2)25-16-10-23(11-17-25)20-29(26-14-8-22(5)9-15-26)32(30,31)27-18-12-24(13-19-27)21(3)4/h8-19,21H,6-7,20H2,1-5H3
    MOLECULAR FORMULA
    C27H34N2O2S
    CROSS REFERENCES
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    canSAR1100105

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.23
    AlogP 6.36
    HBond donors 0
    HBond acceptors 4
    Atoms 66
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1100105.