canSAR2164956
FEATURES
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NAMES
    SMILES
    Cc1ccnc(CN=C(O)[C@H]2C[C@H](F)CN2C(O)=Nc2cn(C(=N)O)c3ccccc23)c1F
    InChI
    InChI=1S/C22H22F2N6O3/c1-12-6-7-26-15(19(12)24)9-27-20(31)18-8-13(23)10-30(18)22(33)28-16-11-29(21(25)32)17-5-3-2-4-14(16)17/h2-7,11,13,18H,8-10H2,1H3,(H2,25,32)(H,27,31)(H,28,33)/t13-,18+/m0/s1
    MOLECULAR FORMULA
    C22H22F2N6O3
    CROSS REFERENCES
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    canSAR2164956
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight456.17
    AlogP3.94
    HBond donors4
    HBond acceptors9
    Atoms55
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2164956.