1125330 logo
canSAR1125330
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cccc(-c2ccc(-n3c(Cl)cc4[nH]c(=O)c(-c5cccc(C(=O)O)c5)c(O)c43)cc2)c1O
    InChI
    InChI=1S/C27H19ClN2O6/c1-36-20-7-3-6-18(24(20)31)14-8-10-17(11-9-14)30-21(28)13-19-23(30)25(32)22(26(33)29-19)15-4-2-5-16(12-15)27(34)35/h2-13,31H,1H3,(H,34,35)(H2,29,32,33)
    MOLECULAR FORMULA
    C27H19ClN2O6
    CROSS REFERENCES
    1125330 logo

    canSAR1125330

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 502.09
    AlogP 5.42
    HBond donors 4
    HBond acceptors 8
    Atoms 55
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1125330.