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canSAR2096951
FEATURES
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NAMES
    SMILES
    Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(C(C)C)C2)n1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C13H21N3O2.C2HF3O2/c1-8(2)16-7-10(13-14-9(3)15-18-13)6-12-11(16)4-5-17-12;3-2(4,5)1(6)7/h8,10-12H,4-7H2,1-3H3;(H,6,7)/t10-,11-,12-;/m1./s1
    MOLECULAR FORMULA
    C15H22F3N3O4
    CROSS REFERENCES
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    canSAR2096951

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 365.16
    AlogP 2.37
    HBond donors 1
    HBond acceptors 7
    Atoms 47
    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 canSAR2096951.