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canSAR1490077
FEATURES
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NAMES
    SMILES
    CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4Cl)c3)CC2)=C(c2ccc(Cl)cc2)C1
    InChI
    InChI=1S/C46H50Cl2N6O7S/c1-46(2)15-11-33(38(27-46)31-3-5-34(47)6-4-31)29-52-17-19-53(20-18-52)35-7-9-37(43(24-35)61-44-23-32-12-16-49-41(32)26-39(44)48)45(55)51-62(58,59)36-8-10-40(42(25-36)54(56)57)50-28-30-13-21-60-22-14-30/h3-10,12,16,23-26,30,49-50H,11,13-15,17-22,27-29H2,1-2H3,(H,51,55)
    MOLECULAR FORMULA
    C46H50Cl2N6O7S
    CROSS REFERENCES
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    canSAR1490077

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 900.28
    AlogP 9.92
    HBond donors 3
    HBond acceptors 13
    Atoms 112
    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 canSAR1490077.