1126998 logo
canSAR1126998
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(-c2cnn3c2nc(NCCCc2ncc[nH]2)c2ccccc23)cc1
    InChI
    InChI=1S/C23H22N6O/c1-30-17-10-8-16(9-11-17)19-15-27-29-20-6-3-2-5-18(20)22(28-23(19)29)26-12-4-7-21-24-13-14-25-21/h2-3,5-6,8-11,13-15H,4,7,12H2,1H3,(H,24,25)(H,26,28)
    MOLECULAR FORMULA
    C23H22N6O
    CROSS REFERENCES
    1126998 logo

    canSAR1126998

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 398.19
    AlogP 4.33
    HBond donors 2
    HBond acceptors 7
    Atoms 52
    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 canSAR1126998.