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canSAR1117290
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NAMES
    SMILES
    Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C2CCN(C)CC2)CC1
    InChI
    InChI=1S/C34H47ClN6O3S/c1-22(2)44-31-20-27(25-11-17-41(18-12-25)26-13-15-40(6)16-14-26)24(5)19-30(31)38-34-36-21-28(35)33(39-34)37-29-9-7-8-10-32(29)45(42,43)23(3)4/h7-10,19-23,25-26H,11-18H2,1-6H3,(H2,36,37,38,39)
    MOLECULAR FORMULA
    C34H47ClN6O3S
    CROSS REFERENCES
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    canSAR1117290

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 654.31
    AlogP 7.17
    HBond donors 2
    HBond acceptors 9
    Atoms 92
    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 canSAR1117290.