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canSAR1986429
FEATURES
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NAMES
    SMILES
    CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccc4c(c3)CCCN4)cc2[N+](=O)[O-])CC1
    InChI
    InChI=1S/C47H56ClN7O6S/c1-47(2)19-16-34(41(30-47)32-6-8-35(48)9-7-32)31-53-23-25-54(26-24-53)37-10-13-40(45(28-37)61-38-11-14-42-33(27-38)5-4-20-49-42)46(56)51-62(59,60)39-12-15-43(44(29-39)55(57)58)50-36-17-21-52(3)22-18-36/h6-15,27-29,36,49-50H,4-5,16-26,30-31H2,1-3H3,(H,51,56)
    MOLECULAR FORMULA
    C47H56ClN7O6S
    CROSS REFERENCES
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    canSAR1986429

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 881.37
    AlogP 8.81
    HBond donors 3
    HBond acceptors 13
    Atoms 118
    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 canSAR1986429.