1065321 logo
canSAR1065321
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COCCOc1cc2ncnc(NC3=CC(=O)C(OC(CF)CF)=C(Cl)C3=O)c2cc1OC
    InChI
    InChI=1S/C21H20ClF2N3O6/c1-30-3-4-32-17-7-13-12(5-16(17)31-2)21(26-10-25-13)27-14-6-15(28)20(18(22)19(14)29)33-11(8-23)9-24/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,25,26,27)
    MOLECULAR FORMULA
    C21H20ClF2N3O6
    CROSS REFERENCES
    1065321 logo

    canSAR1065321

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 483.10
    AlogP 2.89
    HBond donors 1
    HBond acceptors 9
    Atoms 53
    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 canSAR1065321.