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canSAR829707
FEATURES
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NAMES
    SMILES
    CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CNC(=O)C4=C(O)[C@@H](N(C)C)[C@@H]5[C@@H](O)[C@H]6C(=C(O)[C@]5(O)C4=O)C(=O)c4c(O)cccc4[C@@]6(C)O)C(C)C3)c(F)c21
    InChI
    InChI=1S/C40H43F2N5O12/c1-6-45-14-18(38(56)57)31(49)17-12-20(41)29(27(42)28(17)45)46-10-11-47(16(2)13-46)15-43-37(55)24-33(51)30(44(4)5)26-34(52)25-23(35(53)40(26,59)36(24)54)32(50)22-19(39(25,3)58)8-7-9-21(22)48/h7-9,12,14,16,25-26,30,34,48,51-53,58-59H,6,10-11,13,15H2,1-5H3,(H,43,55)(H,56,57)/t16?,25-,26-,30+,34+,39-,40+/m1/s1
    MOLECULAR FORMULA
    C40H43F2N5O12
    CROSS REFERENCES
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    canSAR829707

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 823.29
    AlogP 0.87
    HBond donors 8
    HBond acceptors 17
    Atoms 102
    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 canSAR829707.