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canSAR1977319
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(Oc4ccc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1
    InChI
    InChI=1S/C49H56ClN7O6S/c1-49(2)19-15-36(43(30-49)34-5-7-37(50)8-6-34)32-55-23-25-56(26-24-55)39-9-12-42(47(28-39)63-40-10-13-44-35(27-40)16-20-51-44)48(58)53-64(61,62)41-11-14-45(46(29-41)57(59)60)52-38-17-21-54(22-18-38)31-33-3-4-33/h5-14,16,20,27-29,33,38,51-52H,3-4,15,17-19,21-26,30-32H2,1-2H3,(H,53,58)
    MOLECULAR FORMULA
    C49H56ClN7O6S
    CROSS REFERENCES
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    canSAR1977319

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 905.37
    AlogP 9.71
    HBond donors 3
    HBond acceptors 13
    Atoms 120
    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 canSAR1977319.