canSAR1388095
FEATURES
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NAMES
    SMILES
    Cn1ccnc1CN1CCO[C@H]2C(CNC(=O)c3ccco3)CC[C@H]21.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H24N4O3.C2HF3O2/c1-21-7-6-19-16(21)12-22-8-10-25-17-13(4-5-14(17)22)11-20-18(23)15-3-2-9-24-15;3-2(4,5)1(6)7/h2-3,6-7,9,13-14,17H,4-5,8,10-12H2,1H3,(H,20,23);(H,6,7)
    MOLECULAR FORMULA
    C20H25F3N4O5
    CROSS REFERENCES
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    canSAR1388095
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight458.18
    AlogP2.06
    HBond donors2
    HBond acceptors9
    Atoms57
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1388095.