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canSAR2050783
FEATURES
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NAMES
    SMILES
    CC[N+](CC)(CC)CCCS(=O)(=O)Nc1cc(C(C)(C)C)cc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)c1OC.O=C([O-])C(F)(F)F
    InChI
    InChI=1S/C38H54N4O7S.C2HF3O2/c1-8-42(9-2,10-3)21-13-25-50(45,46)40-33-27-28(38(4,5)6)26-32(36(33)47-7)39-37(44)35(43)31-16-17-34(30-15-12-11-14-29(30)31)49-24-20-41-18-22-48-23-19-41;3-2(4,5)1(6)7/h11-12,14-17,26-27,40H,8-10,13,18-25H2,1-7H3;(H,6,7)
    MOLECULAR FORMULA
    C40H55F3N4O9S
    CROSS REFERENCES
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    canSAR2050783

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 824.36
    AlogP 4.99
    HBond donors 2
    HBond acceptors 13
    Atoms 112
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2050783.