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canSAR1513838
FEATURES
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NAMES
    SMILES
    CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(S(C)(=O)=O)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1
    InChI
    InChI=1S/C46H51ClFN7O8S2/c1-46(2)16-12-32(38(28-46)30-4-6-33(47)7-5-30)29-52-20-22-53(23-21-52)35-8-10-37(43(25-35)63-44-24-31-13-17-49-41(31)27-39(44)48)45(56)51-65(61,62)36-9-11-40(42(26-36)55(57)58)50-34-14-18-54(19-15-34)64(3,59)60/h4-11,13,17,24-27,34,49-50H,12,14-16,18-23,28-29H2,1-3H3,(H,51,56)
    MOLECULAR FORMULA
    C46H51ClFN7O8S2
    CROSS REFERENCES
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    canSAR1513838

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 947.29
    AlogP 8.40
    HBond donors 3
    HBond acceptors 15
    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 canSAR1513838.