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canSAR391536
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NAMES
    SMILES
    CC(=O)N[C@@H](Cc1n[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
    InChI
    InChI=1S/C21H17F6N3O3/c1-11(31)28-18(9-17-15-4-2-3-5-16(15)29-30-17)19(32)33-10-12-6-13(20(22,23)24)8-14(7-12)21(25,26)27/h2-8,18H,9-10H2,1H3,(H,28,31)(H,29,30)/t18-/m0/s1
    MOLECULAR FORMULA
    C21H17F6N3O3
    CROSS REFERENCES
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    canSAR391536

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.12
    AlogP 4.39
    HBond donors 2
    HBond acceptors 6
    Atoms 50
    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 canSAR391536.