1126589 logo
canSAR1126589
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(NC2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccccc3)S2)c(OC)c1
    InChI
    InChI=1S/C27H22N4O3S/c1-33-21-13-14-22(23(16-21)34-2)28-27-29-26(32)24(35-27)15-19-17-31(20-11-7-4-8-12-20)30-25(19)18-9-5-3-6-10-18/h3-17H,1-2H3,(H,28,29,32)/b24-15-
    MOLECULAR FORMULA
    C27H22N4O3S
    CROSS REFERENCES
    1126589 logo

    canSAR1126589

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.14
    AlogP 5.64
    HBond donors 1
    HBond acceptors 7
    Atoms 57
    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 canSAR1126589.