93087 logo
canSAR93087
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C1/C(=N\NC(=S)Nc2ccccc2)c2ccccc2N1CCC1CCCCC1
    InChI
    InChI=1S/C23H26N4OS/c28-22-21(25-26-23(29)24-18-11-5-2-6-12-18)19-13-7-8-14-20(19)27(22)16-15-17-9-3-1-4-10-17/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H2,24,26,29)/b25-21-
    MOLECULAR FORMULA
    C23H26N4OS
    CROSS REFERENCES
    93087 logo

    canSAR93087

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.18
    AlogP 4.69
    HBond donors 2
    HBond acceptors 5
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR93087.