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canSAR2093336
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NAMES
    SMILES
    O=C(CC1CC1)NC[C@]12COC[C@H]1CN(c1ncccn1)C2.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C16H22N4O2.C2HF3O2/c21-14(6-12-2-3-12)19-9-16-10-20(7-13(16)8-22-11-16)15-17-4-1-5-18-15;3-2(4,5)1(6)7/h1,4-5,12-13H,2-3,6-11H2,(H,19,21);(H,6,7)/t13-,16+;/m1./s1
    MOLECULAR FORMULA
    C18H23F3N4O4
    CROSS REFERENCES
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    canSAR2093336

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.17
    AlogP 1.48
    HBond donors 2
    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 canSAR2093336.