1498880 logo
canSAR1498880
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)N=C2c2ccccc2)c1
    InChI
    InChI=1S/C31H24ClN3O4/c1-38-27-9-5-8-25(19-27)35-30(22-6-3-2-4-7-22)34-28(31(35)37)18-21-10-16-26(17-11-21)39-20-29(36)33-24-14-12-23(32)13-15-24/h2-19H,20H2,1H3,(H,33,36)/b28-18-
    MOLECULAR FORMULA
    C31H24ClN3O4
    CROSS REFERENCES
    1498880 logo

    canSAR1498880

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 537.15
    AlogP 6.20
    HBond donors 1
    HBond acceptors 7
    Atoms 63
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1498880.