1589358 logo
canSAR1589358
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCN1C(=O)/C(=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c2ccccc21
    InChI
    InChI=1S/C25H22N4O3S2/c1-4-14-27-18-13-9-8-12-17(18)19(22(27)30)21-24(32)28(25(33)34-21)20-15(2)26(3)29(23(20)31)16-10-6-5-7-11-16/h5-13H,4,14H2,1-3H3/b21-19-
    MOLECULAR FORMULA
    C25H22N4O3S2
    CROSS REFERENCES
    1589358 logo

    canSAR1589358

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 490.11
    AlogP 4.02
    HBond donors 0
    HBond acceptors 7
    Atoms 56
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1589358.