643386 logo
canSAR643386
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1ccc([N+](=O)[O-])c2c(NCCNC(=O)Cn3ccnc3[N+](=O)[O-])ccnc12
    InChI
    InChI=1S/C17H17N7O5/c1-11-2-3-13(23(26)27)15-12(4-5-20-16(11)15)18-6-7-19-14(25)10-22-9-8-21-17(22)24(28)29/h2-5,8-9H,6-7,10H2,1H3,(H,18,20)(H,19,25)
    MOLECULAR FORMULA
    C17H17N7O5
    CROSS REFERENCES
    643386 logo

    canSAR643386

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.13
    AlogP 1.78
    HBond donors 2
    HBond acceptors 12
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR643386.