canSAR1388017
FEATURES
Loading...
NAMES
    SMILES
    Cc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)nc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H20N4O.C2HF3O2/c1-13-11-19-18(20-12-13)21-10-9-16-15(21)7-8-17(23)22(16)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-6,11-12,15-16H,7-10H2,1H3;(H,6,7)
    MOLECULAR FORMULA
    C20H21F3N4O3
    CROSS REFERENCES
    Loading...
    canSAR1388017
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight422.16
    AlogP3.19
    HBond donors1
    HBond acceptors7
    Atoms51
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1388017.