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canSAR2083575
FEATURES
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NAMES
    SMILES
    Cc1ccoc1C(=O)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C20H24N2O3.C2HF3O2/c1-15-6-10-25-18(15)19(23)22-11-17-3-2-7-20(17,13-22)14-24-12-16-4-8-21-9-5-16;3-2(4,5)1(6)7/h4-6,8-10,17H,2-3,7,11-14H2,1H3;(H,6,7)/t17-,20+;/m1./s1
    MOLECULAR FORMULA
    C22H25F3N2O5
    CROSS REFERENCES
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    canSAR2083575

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.17
    AlogP 4.08
    HBond donors 1
    HBond acceptors 7
    Atoms 57
    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 canSAR2083575.