canSAR1648911
FEATURES
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NAMES
    SMILES
    CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCOC)CC1
    InChI
    InChI=1S/C22H28N6O3/c1-4-26-9-11-27(12-10-26)20-18(14-17(15-23)21(29)24-7-13-31-3)22(30)28-8-5-6-16(2)19(28)25-20/h5-6,8,14H,4,7,9-13H2,1-3H3,(H,24,29)/b17-14+
    MOLECULAR FORMULA
    C22H28N6O3
    CROSS REFERENCES
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    canSAR1648911
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight424.22
    AlogP0.81
    HBond donors1
    HBond acceptors9
    Atoms59
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1648911.