1768459 logo
canSAR1768459
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2ccc(N(CC(=O)O)Cc3cc(F)cc(F)c3)cc21.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C27H28F2N4O4.C2HF3O2/c1-27(16-36-22-6-3-18(4-7-22)26(30)31)15-32(2)23-12-21(5-8-24(23)37-27)33(14-25(34)35)13-17-9-19(28)11-20(29)10-17;3-2(4,5)1(6)7/h3-12H,13-16H2,1-2H3,(H3,30,31)(H,34,35);(H,6,7)
    MOLECULAR FORMULA
    C29H29F5N4O6
    CROSS REFERENCES
    1768459 logo

    canSAR1768459

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 624.20
    AlogP 4.64
    HBond donors 5
    HBond acceptors 10
    Atoms 73
    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 canSAR1768459.