1829567 logo
canSAR1829567
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1cncc(Br)c1
    InChI
    InChI=1S/C17H16BrClN4O2S/c18-12-7-11(9-20-10-12)16(24)22-17(26)21-13-1-2-15(14(19)8-13)23-3-5-25-6-4-23/h1-2,7-10H,3-6H2,(H2,21,22,24,26)
    MOLECULAR FORMULA
    C17H16BrClN4O2S
    CROSS REFERENCES
    1829567 logo

    canSAR1829567

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.99
    AlogP 3.46
    HBond donors 2
    HBond acceptors 6
    Atoms 42
    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 canSAR1829567.