canSAR1808996
FEATURES
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NAMES
    SMILES
    CCc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(F)cc3F)C2)nc(OC)c1F
    InChI
    InChI=1S/C20H21F3N6O2/c1-4-14-15(23)16(31-3)26-19(25-14)29-8-12-17(30)28(2)18(24)27-20(12,9-29)11-6-5-10(21)7-13(11)22/h5-7,12H,4,8-9H2,1-3H3,(H2,24,27)/t12-,20+/m0/s1
    MOLECULAR FORMULA
    C20H21F3N6O2
    CROSS REFERENCES
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    canSAR1808996
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight434.17
    AlogP1.58
    HBond donors2
    HBond acceptors8
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1808996.