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canSAR2091801
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C(c1ccoc1)N1CC[C@H]2OCC[C@@]2(COc2ncccc2F)C1
    InChI
    InChI=1S/C18H19FN2O4.C2HF3O2/c19-14-2-1-6-20-16(14)25-12-18-5-9-24-15(18)3-7-21(11-18)17(22)13-4-8-23-10-13;3-2(4,5)1(6)7/h1-2,4,6,8,10,15H,3,5,7,9,11-12H2;(H,6,7)/t15-,18+;/m1./s1
    MOLECULAR FORMULA
    C20H20F4N2O6
    CROSS REFERENCES
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    canSAR2091801

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.13
    AlogP 3.15
    HBond donors 1
    HBond acceptors 8
    Atoms 52
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2091801.