canSAR2097183
FEATURES
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NAMES
    SMILES
    COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(Cl)s3)C2)nc(C)c1F
    InChI
    InChI=1S/C17H18ClFN6O2S/c1-8-12(19)13(27-3)22-16(21-8)25-6-9-14(26)24(2)15(20)23-17(9,7-25)10-4-5-11(18)28-10/h4-5,9H,6-7H2,1-3H3,(H2,20,23)/t9-,17-/m0/s1
    MOLECULAR FORMULA
    C17H18ClFN6O2S
    CROSS REFERENCES
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    canSAR2097183
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight424.09
    AlogP1.98
    HBond donors2
    HBond acceptors8
    Atoms46
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2097183.