161742 logo
canSAR161742
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cccc(Nc2ncnc3cnc(NCCc4c[nH]cn4)nc23)c1
    InChI
    InChI=1S/C18H18N8/c1-12-3-2-4-13(7-12)25-17-16-15(23-11-24-17)9-21-18(26-16)20-6-5-14-8-19-10-22-14/h2-4,7-11H,5-6H2,1H3,(H,19,22)(H,20,21,26)(H,23,24,25)
    MOLECULAR FORMULA
    C18H18N8
    CROSS REFERENCES
    161742 logo

    canSAR161742

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 346.17
    AlogP 2.85
    HBond donors 3
    HBond acceptors 8
    Atoms 44
    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 canSAR161742.