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canSAR1975385
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NAMES
    SMILES
    O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc2[nH]nc(-c3ccnc(Cl)c3)c2c1
    InChI
    InChI=1S/C25H22ClF2N5O/c26-23-12-15(8-9-29-23)24-18-11-16(6-7-22(18)31-32-24)25(34)30-17-3-2-10-33(13-17)14-19-20(27)4-1-5-21(19)28/h1,4-9,11-12,17H,2-3,10,13-14H2,(H,30,34)(H,31,32)/t17-/m1/s1
    MOLECULAR FORMULA
    C25H22ClF2N5O
    CROSS REFERENCES
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    canSAR1975385

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 481.15
    AlogP 4.95
    HBond donors 2
    HBond acceptors 6
    Atoms 56
    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 canSAR1975385.