canSAR170714
FEATURES
Loading...
NAMES
    SMILES
    Nc1nc(N)c2nc(COC(=O)Cc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1
    InChI
    InChI=1S/C21H21N7O7/c22-17-16-18(28-21(23)27-17)24-8-12(25-16)9-35-15(31)7-10-1-3-11(4-2-10)19(32)26-13(20(33)34)5-6-14(29)30/h1-4,8,13H,5-7,9H2,(H,26,32)(H,29,30)(H,33,34)(H4,22,23,24,27,28)/t13-/m0/s1
    MOLECULAR FORMULA
    C21H21N7O7
    CROSS REFERENCES
    Loading...
    canSAR170714
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight483.15
    AlogP-0.08
    HBond donors7
    HBond acceptors14
    Atoms56
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR170714.