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canSAR1616790
FEATURES
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NAMES
    SMILES
    CC(C)c1c(C(=O)N(C)Cc2cccc(F)c2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-]
    InChI
    InChI=1S/C28H33F2N3O5/c1-17(2)26-24(12-11-22(34)14-23(35)15-25(36)37)33(21-9-7-19(29)8-10-21)31-27(26)28(38)32(3)16-18-5-4-6-20(30)13-18/h4-10,13,17,22-23,34-35H,11-12,14-16H2,1-3H3,(H,36,37)/p-1/t22-,23-/m1/s1
    MOLECULAR FORMULA
    C28H32F2N3O5-
    CROSS REFERENCES
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    canSAR1616790

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 528.23
    AlogP 2.73
    HBond donors 2
    HBond acceptors 8
    Atoms 70
    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 canSAR1616790.