115394 logo
canSAR115394
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1c(N2C[C@@H](N)[C@H](F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
    InChI
    InChI=1S/C18H19F2N3O3/c1-8-15-10(9-2-3-9)4-11(18(25)26)17(24)23(15)6-13(20)16(8)22-5-12(19)14(21)7-22/h4,6,9,12,14H,2-3,5,7,21H2,1H3,(H,25,26)/t12-,14-/m1/s1
    MOLECULAR FORMULA
    C18H19F2N3O3
    CROSS REFERENCES
    115394 logo

    canSAR115394

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 363.14
    AlogP 1.81
    HBond donors 3
    HBond acceptors 6
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR115394.