828739 logo
canSAR828739
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    c1ccc(Cc2nnc(-c3ccc(N4CCC5(CCc6ccccc6O5)CC4)nn3)o2)nc1
    InChI
    InChI=1S/C25H24N6O2/c1-2-7-21-18(5-1)10-11-25(33-21)12-15-31(16-13-25)22-9-8-20(27-28-22)24-30-29-23(32-24)17-19-6-3-4-14-26-19/h1-9,14H,10-13,15-17H2
    MOLECULAR FORMULA
    C25H24N6O2
    CROSS REFERENCES
    828739 logo

    canSAR828739

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.20
    AlogP 3.88
    HBond donors 0
    HBond acceptors 8
    Atoms 57
    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 canSAR828739.