1521956 logo
canSAR1521956
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCc1c(-c2ccccc2)nc(C(C)C)c(CCP([O-])(O)=CC(=O)CC(=O)[O-])c1-c1ccc(F)cc1
    InChI
    InChI=1S/C28H31FNO5P/c1-4-23-26(19-10-12-21(29)13-11-19)24(14-15-36(34,35)17-22(31)16-25(32)33)27(18(2)3)30-28(23)20-8-6-5-7-9-20/h5-13,17-18H,4,14-16H2,1-3H3,(H3,31,32,33,34,35)/p-2
    MOLECULAR FORMULA
    C28H29FNO5P-2
    CROSS REFERENCES
    1521956 logo

    canSAR1521956

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 509.18
    AlogP 3.49
    HBond donors 1
    HBond acceptors 6
    Atoms 65
    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 canSAR1521956.