canSAR2172003
FEATURES
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NAMES
    SMILES
    N#C[C@@H]1CCCC[C@H]1n1cc(C(=N)O)c(=Nc2ccnc(Cl)c2)[nH]1
    InChI
    InChI=1S/C16H17ClN6O/c17-14-7-11(5-6-20-14)21-16-12(15(19)24)9-23(22-16)13-4-2-1-3-10(13)8-18/h5-7,9-10,13H,1-4H2,(H2,19,24)(H,20,21,22)/t10-,13+/m0/s1
    MOLECULAR FORMULA
    C16H17ClN6O
    CROSS REFERENCES
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    canSAR2172003
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight344.12
    AlogP3.24
    HBond donors3
    HBond acceptors7
    Atoms41
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2172003.