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canSAR2052316
FEATURES
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NAMES
    SMILES
    N#Cc1ccc2nc(NC3CC3)c(N3CCN(Cc4cc(F)ccc4F)CC3)nc2c1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C23H22F2N6.C2HF3O2/c24-17-2-5-19(25)16(12-17)14-30-7-9-31(10-8-30)23-22(27-18-3-4-18)28-20-6-1-15(13-26)11-21(20)29-23;3-2(4,5)1(6)7/h1-2,5-6,11-12,18H,3-4,7-10,14H2,(H,27,28);(H,6,7)
    MOLECULAR FORMULA
    C25H23F5N6O2
    CROSS REFERENCES
    2052316 logo

    canSAR2052316

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 534.18
    AlogP 4.31
    HBond donors 2
    HBond acceptors 8
    Atoms 61
    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 canSAR2052316.