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canSAR1992895
FEATURES
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NAMES
    SMILES
    C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1)NC(=O)c1ccc(Cl)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C22H24ClFN4O2.C2HF3O2/c1-14(25-21(29)15-2-4-16(23)5-3-15)13-27-10-8-18(9-11-27)28-20-7-6-17(24)12-19(20)26-22(28)30;3-2(4,5)1(6)7/h2-7,12,14,18H,8-11,13H2,1H3,(H,25,29)(H,26,30);(H,6,7)/t14-;/m0./s1
    MOLECULAR FORMULA
    C24H25ClF4N4O4
    CROSS REFERENCES
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    canSAR1992895

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 544.15
    AlogP 4.21
    HBond donors 3
    HBond acceptors 8
    Atoms 62
    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 canSAR1992895.