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canSAR1723046
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NAMES
    SMILES
    CCCC1NC(=O)c2cccnc2-n2c1nc1ccc(OC)cc1c2=O.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C19H18N4O3.C2HF3O2/c1-3-5-15-17-21-14-8-7-11(26-2)10-13(14)19(25)23(17)16-12(18(24)22-15)6-4-9-20-16;3-2(4,5)1(6)7/h4,6-10,15H,3,5H2,1-2H3,(H,22,24);(H,6,7)
    MOLECULAR FORMULA
    C21H19F3N4O5
    CROSS REFERENCES
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    canSAR1723046

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 464.13
    AlogP 3.01
    HBond donors 2
    HBond acceptors 9
    Atoms 52
    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 canSAR1723046.