563144 logo
canSAR563144
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cnc(Nc2ccccc2)nc1N[C@@H](CCCN)C(=O)Nc1ccccc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C22H26N6O.C2HF3O2/c1-16-15-24-22(26-18-11-6-3-7-12-18)28-20(16)27-19(13-8-14-23)21(29)25-17-9-4-2-5-10-17;3-2(4,5)1(6)7/h2-7,9-12,15,19H,8,13-14,23H2,1H3,(H,25,29)(H2,24,26,27,28);(H,6,7)
    MOLECULAR FORMULA
    C24H27F3N6O3
    CROSS REFERENCES
    563144 logo

    canSAR563144

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 504.21
    AlogP 4.32
    HBond donors 6
    HBond acceptors 9
    Atoms 63
    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 canSAR563144.