83758 logo
canSAR83758
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    N#C/C(=C\c1cc(O)c(O)c(O)c1)C(=O)NCCCCCNC(=O)/C(C#N)=C/c1cc(O)c(O)c(O)c1
    InChI
    InChI=1S/C25H24N4O8/c26-12-16(6-14-8-18(30)22(34)19(31)9-14)24(36)28-4-2-1-3-5-29-25(37)17(13-27)7-15-10-20(32)23(35)21(33)11-15/h6-11,30-35H,1-5H2,(H,28,36)(H,29,37)/b16-6+,17-7+
    MOLECULAR FORMULA
    C25H24N4O8
    CROSS REFERENCES
    83758 logo

    canSAR83758

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 508.16
    AlogP 1.84
    HBond donors 8
    HBond acceptors 12
    Atoms 61
    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 canSAR83758.