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canSAR1617505
FEATURES
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NAMES
    SMILES
    CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H]5CCCN(C6CCOCC6)C5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1
    InChI
    InChI=1S/C50H57ClFN7O7S/c1-50(2)17-13-35(42(30-50)33-5-7-36(51)8-6-33)31-56-20-22-57(23-21-56)39-9-11-41(47(27-39)66-48-26-34-14-18-53-45(34)29-43(48)52)49(60)55-67(63,64)40-10-12-44(46(28-40)59(61)62)54-37-4-3-19-58(32-37)38-15-24-65-25-16-38/h5-12,14,18,26-29,37-38,53-54H,3-4,13,15-17,19-25,30-32H2,1-2H3,(H,55,60)/t37-/m0/s1
    MOLECULAR FORMULA
    C50H57ClFN7O7S
    CROSS REFERENCES
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    canSAR1617505

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 953.37
    AlogP 9.62
    HBond donors 3
    HBond acceptors 14
    Atoms 124
    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 canSAR1617505.