canSAR2098863
FEATURES
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NAMES
    SMILES
    Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ccccn2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C19H22N4O.3C2HF3O2/c1-14-5-4-7-16(21-14)13-23-17-8-10-22(18(17)11-19(23)24)12-15-6-2-3-9-20-15;3*3-2(4,5)1(6)7/h2-7,9,17-18H,8,10-13H2,1H3;3*(H,6,7)/t17-,18-;;;/m0.../s1
    MOLECULAR FORMULA
    C25H25F9N4O7
    CROSS REFERENCES
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    canSAR2098863
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight664.16
    AlogP4.06
    HBond donors3
    HBond acceptors11
    Atoms70
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2098863.