canSAR2162413
FEATURES
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NAMES
    SMILES
    C[C@H]1CCC[C@@H](CN=C(O)[C@H]2C[C@@H]3C[C@@H]3N2C(=O)Cn2nc(C(=N)O)c3ccncc32)C1
    InChI
    InChI=1S/C23H30N6O3/c1-13-3-2-4-14(7-13)10-26-23(32)18-9-15-8-17(15)29(18)20(30)12-28-19-11-25-6-5-16(19)21(27-28)22(24)31/h5-6,11,13-15,17-18H,2-4,7-10,12H2,1H3,(H2,24,31)(H,26,32)/t13-,14+,15-,17-,18+/m0/s1
    MOLECULAR FORMULA
    C23H30N6O3
    CROSS REFERENCES
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    canSAR2162413
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight438.24
    AlogP3.09
    HBond donors3
    HBond acceptors9
    Atoms62
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2162413.