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canSAR2096644
FEATURES
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NAMES
    SMILES
    O=C(C1CCOCC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H24N2O4.C2HF3O2/c21-18(13-5-9-22-10-6-13)20-8-11-23-17-15(20)3-4-16(17)24-14-2-1-7-19-12-14;3-2(4,5)1(6)7/h1-2,7,12-13,15-17H,3-6,8-11H2;(H,6,7)/t15-,16+,17+;/m0./s1
    MOLECULAR FORMULA
    C20H25F3N2O6
    CROSS REFERENCES
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    canSAR2096644

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.17
    AlogP 2.28
    HBond donors 1
    HBond acceptors 8
    Atoms 56
    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 canSAR2096644.