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canSAR2083977
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NAMES
    SMILES
    COCCNC(=O)[C@H]1C[C@@H]2CCN(c3ccncn3)C[C@H]2O1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C15H22N4O3.C2HF3O2/c1-21-7-5-17-15(20)12-8-11-3-6-19(9-13(11)22-12)14-2-4-16-10-18-14;3-2(4,5)1(6)7/h2,4,10-13H,3,5-9H2,1H3,(H,17,20);(H,6,7)/t11-,12+,13+;/m0./s1
    MOLECULAR FORMULA
    C17H23F3N4O5
    CROSS REFERENCES
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    canSAR2083977

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.16
    AlogP 0.86
    HBond donors 2
    HBond acceptors 9
    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 canSAR2083977.