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canSAR2094876
FEATURES
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NAMES
    SMILES
    Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3c2cccnc2)o1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H19N3O3.C2HF3O2/c1-12-4-6-16(24-12)18(23)20-10-8-15-14(20)5-7-17(22)21(15)13-3-2-9-19-11-13;3-2(4,5)1(6)7/h2-4,6,9,11,14-15H,5,7-8,10H2,1H3;(H,6,7)/t14-,15-;/m0./s1
    MOLECULAR FORMULA
    C20H20F3N3O5
    CROSS REFERENCES
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    canSAR2094876

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.14
    AlogP 3.03
    HBond donors 1
    HBond acceptors 8
    Atoms 51
    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 canSAR2094876.