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canSAR2094390
FEATURES
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NAMES
    SMILES
    O=C(Nc1cnccn1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccoc2)O1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C17H20N4O3.C2HF3O2/c22-17(20-16-9-18-5-6-19-16)15-2-1-13-14(24-15)3-7-21(13)10-12-4-8-23-11-12;3-2(4,5)1(6)7/h4-6,8-9,11,13-15H,1-3,7,10H2,(H,19,20,22);(H,6,7)/t13-,14-,15-;/m1./s1
    MOLECULAR FORMULA
    C19H21F3N4O5
    CROSS REFERENCES
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    canSAR2094390

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.15
    AlogP 2.46
    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 canSAR2094390.