1109978 logo
canSAR1109978
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cc(C)c(Nc2nc(Nc3ccc(C#N)cc3)nc(OCCCC3CCNCC3)n2)c(C)c1
    InChI
    InChI=1S/C27H33N7O/c1-18-15-19(2)24(20(3)16-18)31-26-32-25(30-23-8-6-22(17-28)7-9-23)33-27(34-26)35-14-4-5-21-10-12-29-13-11-21/h6-9,15-16,21,29H,4-5,10-14H2,1-3H3,(H2,30,31,32,33,34)
    MOLECULAR FORMULA
    C27H33N7O
    CROSS REFERENCES
    1109978 logo

    canSAR1109978

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.27
    AlogP 5.31
    HBond donors 3
    HBond acceptors 8
    Atoms 68
    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 canSAR1109978.