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canSAR1505893
FEATURES
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NAMES
    SMILES
    CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(CC6CC6)CC5)c([N+](=O)[O-])c4)c(Oc4ccccc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1
    InChI
    InChI=1S/C47H54Cl2N6O6S/c1-47(2)20-17-34(40(29-47)33-9-11-35(48)12-10-33)31-53-23-25-54(26-24-53)37-13-15-39(45(27-37)61-44-6-4-3-5-41(44)49)46(56)51-62(59,60)38-14-16-42(43(28-38)55(57)58)50-36-18-21-52(22-19-36)30-32-7-8-32/h3-6,9-16,27-28,32,36,50H,7-8,17-26,29-31H2,1-2H3,(H,51,56)
    MOLECULAR FORMULA
    C47H54Cl2N6O6S
    CROSS REFERENCES
    1505893 logo

    canSAR1505893

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 900.32
    AlogP 9.88
    HBond donors 2
    HBond acceptors 12
    Atoms 116
    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 canSAR1505893.