1087902 logo
canSAR1087902
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1nc2cnccn2c1-c1ccnc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)n1
    InChI
    InChI=1S/C25H22N8O/c1-16-23(33-13-12-27-15-22(33)30-16)21-10-11-28-25(32-21)29-14-17-6-8-18(9-7-17)24(34)31-20-5-3-2-4-19(20)26/h2-13,15H,14,26H2,1H3,(H,31,34)(H,28,29,32)
    MOLECULAR FORMULA
    C25H22N8O
    CROSS REFERENCES
    1087902 logo

    canSAR1087902

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.19
    AlogP 3.94
    HBond donors 4
    HBond acceptors 9
    Atoms 56
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087902.