canSAR1387999
FEATURES
Loading...
NAMES
    SMILES
    COc1cc(N2CCCC3(CCN(c4cccnc4)C3=O)C2)ncn1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H21N5O2.C2HF3O2/c1-25-16-10-15(20-13-21-16)22-8-3-5-18(12-22)6-9-23(17(18)24)14-4-2-7-19-11-14;3-2(4,5)1(6)7/h2,4,7,10-11,13H,3,5-6,8-9,12H2,1H3;(H,6,7)
    MOLECULAR FORMULA
    C20H22F3N5O4
    CROSS REFERENCES
    Loading...
    canSAR1387999
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight453.16
    AlogP2.54
    HBond donors1
    HBond acceptors9
    Atoms54
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387999.