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canSAR783728
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NAMES
    SMILES
    COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)cc2)C2CC2)c(Cl)c[n+]1[O-]
    InChI
    InChI=1S/C35H36Cl2F2N4O5/c1-46-14-2-3-24-15-22(29(36)19-43(24)45)18-42(23-6-7-23)35(44)28-17-40-13-12-27(28)21-4-8-25(9-5-21)47-20-26-16-32(41-48-26)33-30(38)10-11-31(39)34(33)37/h4-5,8-11,15-16,19,23,27-28,40H,2-3,6-7,12-14,17-18,20H2,1H3/t27-,28+/m1/s1
    MOLECULAR FORMULA
    C35H36Cl2F2N4O5
    CROSS REFERENCES
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    canSAR783728

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 700.20
    AlogP 6.60
    HBond donors 1
    HBond acceptors 9
    Atoms 84
    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 canSAR783728.