1126591 logo
canSAR1126591
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1ccc(C(Nc2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)c2nnnn2C(C)(C)C)cc1
    InChI
    InChI=1S/C28H28ClN7/c1-18-5-7-19(8-6-18)26(27-33-34-35-36(27)28(2,3)4)32-22-12-10-21(11-13-22)31-24-15-16-30-25-17-20(29)9-14-23(24)25/h5-17,26,32H,1-4H3,(H,30,31)
    MOLECULAR FORMULA
    C28H28ClN7
    CROSS REFERENCES
    1126591 logo

    canSAR1126591

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 497.21
    AlogP 6.88
    HBond donors 2
    HBond acceptors 7
    Atoms 64
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1126591.