561247 logo
canSAR561247
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cccc2[nH]cc(C(=O)N3CCC(c4cccc(CN)c4)CC3)c12.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C22H25N3O.C2HF3O2/c1-15-4-2-7-20-21(15)19(14-24-20)22(26)25-10-8-17(9-11-25)18-6-3-5-16(12-18)13-23;3-2(4,5)1(6)7/h2-7,12,14,17,24H,8-11,13,23H2,1H3;(H,6,7)
    MOLECULAR FORMULA
    C24H26F3N3O3
    CROSS REFERENCES
    561247 logo

    canSAR561247

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 461.19
    AlogP 4.59
    HBond donors 4
    HBond acceptors 6
    Atoms 59
    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 canSAR561247.