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canSAR1142516
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NAMES
    SMILES
    OC[C@H]1CCCCN1CCc1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1
    InChI
    InChI=1S/C23H26ClN3OS/c24-21-7-2-1-6-20(21)22-16-29-23(26-22)25-18-10-8-17(9-11-18)12-14-27-13-4-3-5-19(27)15-28/h1-2,6-11,16,19,28H,3-5,12-15H2,(H,25,26)/t19-/m1/s1
    MOLECULAR FORMULA
    C23H26ClN3OS
    CROSS REFERENCES
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    canSAR1142516

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.15
    AlogP 5.60
    HBond donors 2
    HBond acceptors 4
    Atoms 55
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1142516.