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canSAR2092341
FEATURES
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NAMES
    SMILES
    O=C(NCc1ccco1)[C@H]1C[C@@H]2CCN(c3ncccn3)C[C@H]2O1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C17H20N4O3.C2HF3O2/c22-16(20-10-13-3-1-8-23-13)14-9-12-4-7-21(11-15(12)24-14)17-18-5-2-6-19-17;3-2(4,5)1(6)7/h1-3,5-6,8,12,14-15H,4,7,9-11H2,(H,20,22);(H,6,7)/t12-,14+,15+;/m0./s1
    MOLECULAR FORMULA
    C19H21F3N4O5
    CROSS REFERENCES
    2092341 logo

    canSAR2092341

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.15
    AlogP 2.00
    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 canSAR2092341.