2204902 logo
canSAR2204902
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(/C=C/CN1C[C@@H]2OCCO[C@@H]2C1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC(F)(F)F
    InChI
    InChI=1S/C26H24ClF4N5O4/c27-17-8-15(3-4-18(17)28)34-25-16-9-20(21(40-13-26(29,30)31)10-19(16)32-14-33-25)35-24(37)2-1-5-36-11-22-23(12-36)39-7-6-38-22/h1-4,8-10,14,22-23H,5-7,11-13H2,(H,35,37)(H,32,33,34)/b2-1+/t22-,23+
    MOLECULAR FORMULA
    C26H24ClF4N5O4
    CROSS REFERENCES
    2204902 logo

    canSAR2204902

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 581.15
    AlogP 4.70
    HBond donors 2
    HBond acceptors 9
    Atoms 64
    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 canSAR2204902.