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canSAR1976942
FEATURES
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NAMES
    SMILES
    CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(C(F)(F)F)c2[C@H](F)CO3)C1=O
    InChI
    InChI=1S/C20H16F4N4O4/c1-27-7-6-19(31,18(27)30)5-4-10-2-3-13-12(8-10)28-16(11(21)9-32-13)14(20(22,23)24)15(26-28)17(25)29/h2-3,8,11,31H,6-7,9H2,1H3,(H2,25,29)/t11-,19+/m1/s1
    MOLECULAR FORMULA
    C20H16F4N4O4
    CROSS REFERENCES
    1976942 logo

    canSAR1976942

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.11
    AlogP 1.34
    HBond donors 3
    HBond acceptors 8
    Atoms 48
    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 canSAR1976942.