1126515 logo
canSAR1126515
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCN(CC)C(c1cccc(Nc2ccnc3cc(Cl)ccc23)c1)c1nnnn1CCN1CCOCC1
    InChI
    InChI=1S/C27H33ClN8O/c1-3-35(4-2)26(27-31-32-33-36(27)13-12-34-14-16-37-17-15-34)20-6-5-7-22(18-20)30-24-10-11-29-25-19-21(28)8-9-23(24)25/h5-11,18-19,26H,3-4,12-17H2,1-2H3,(H,29,30)
    MOLECULAR FORMULA
    C27H33ClN8O
    CROSS REFERENCES
    1126515 logo

    canSAR1126515

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.25
    AlogP 4.38
    HBond donors 1
    HBond acceptors 9
    Atoms 70
    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 canSAR1126515.