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canSAR741037
FEATURES
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NAMES
    SMILES
    CC(C)N(c1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2ccc(C(=O)NCCc3ccccc3)cc2C(=O)O)c1F)C(C)C.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C34H35F2N5O5.C2HF3O2/c1-19(2)41(20(3)4)29-27(35)32(45-24-12-8-11-22(17-24)30(37)38)40-33(28(29)36)46-26-14-13-23(18-25(26)34(43)44)31(42)39-16-15-21-9-6-5-7-10-21;3-2(4,5)1(6)7/h5-14,17-20H,15-16H2,1-4H3,(H3,37,38)(H,39,42)(H,43,44);(H,6,7)
    MOLECULAR FORMULA
    C36H36F5N5O7
    CROSS REFERENCES
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    canSAR741037

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 745.25
    AlogP 7.16
    HBond donors 6
    HBond acceptors 12
    Atoms 89
    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 canSAR741037.