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canSAR1991574
FEATURES
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NAMES
    SMILES
    C[C@@H]1O[C@H](C)CN2c3c(cc4c(N5CCOC5=O)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12
    InChI
    InChI=1S/C21H20FN5O7/c1-8-7-27-13-10(5-11-14(12(13)22)34-25-16(11)26-3-4-32-20(26)31)6-21(15(27)9(2)33-8)17(28)23-19(30)24-18(21)29/h5,8-9,15H,3-4,6-7H2,1-2H3,(H2,23,24,28,29,30)/t8-,9+,15-/m1/s1
    MOLECULAR FORMULA
    C21H20FN5O7
    CROSS REFERENCES
    1991574 logo

    canSAR1991574

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.13
    AlogP 0.81
    HBond donors 2
    HBond acceptors 12
    Atoms 54
    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 canSAR1991574.