1152729 logo
canSAR1152729
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)/C(=C/c1ccc(Br)cc1)c1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1
    InChI
    InChI=1S/C26H20BrNO5S/c1-32-25(30)22(14-16-2-8-19(27)9-3-16)18-6-12-21(13-7-18)33-20-10-4-17(5-11-20)15-23-24(29)28-26(31)34-23/h2-14,23H,15H2,1H3,(H,28,29,31)/b22-14+
    MOLECULAR FORMULA
    C26H20BrNO5S
    CROSS REFERENCES
    1152729 logo

    canSAR1152729

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 537.02
    AlogP 5.85
    HBond donors 1
    HBond acceptors 6
    Atoms 54
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1152729.