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canSAR1962293
FEATURES
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NAMES
    SMILES
    CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(S(=O)(=O)N5CCOCC5)cc4)c(Oc4ccc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1
    InChI
    InChI=1S/C44H48ClN5O7S2/c1-44(2)17-15-33(40(29-44)31-3-5-34(45)6-4-31)30-48-19-21-49(22-20-48)35-7-13-39(42(28-35)57-36-8-14-41-32(27-36)16-18-46-41)43(51)47-58(52,53)37-9-11-38(12-10-37)59(54,55)50-23-25-56-26-24-50/h3-14,16,18,27-28,46H,15,17,19-26,29-30H2,1-2H3,(H,47,51)
    MOLECULAR FORMULA
    C44H48ClN5O7S2
    CROSS REFERENCES
    1962293 logo

    canSAR1962293

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 857.27
    AlogP 7.54
    HBond donors 2
    HBond acceptors 12
    Atoms 107
    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 canSAR1962293.