1059571 logo
canSAR1059571
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Oc1c(/C=N/Nc2nc3ccccc3[nH]2)cccc1/C=N/Nc1nc2ccccc2[nH]1
    InChI
    InChI=1S/C22H18N8O/c31-20-14(12-23-29-21-25-16-8-1-2-9-17(16)26-21)6-5-7-15(20)13-24-30-22-27-18-10-3-4-11-19(18)28-22/h1-13,31H,(H2,25,26,29)(H2,27,28,30)/b23-12+,24-13+
    MOLECULAR FORMULA
    C22H18N8O
    CROSS REFERENCES
    1059571 logo

    canSAR1059571

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.16
    AlogP 4.04
    HBond donors 5
    HBond acceptors 9
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1059571.