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canSAR552053
FEATURES
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NAMES
    SMILES
    Cl.O=[N+]([O-])c1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
    InChI
    InChI=1S/C22H22ClN3O4S.ClH/c23-18-3-1-17(2-4-18)9-10-22(15-25-12-11-24-16-25)29-13-20(30-22)14-31-21-7-5-19(6-8-21)26(27)28;/h1-8,11-12,16,20H,9-10,13-15H2;1H/t20-,22+;/m0./s1
    MOLECULAR FORMULA
    C22H23Cl2N3O4S
    CROSS REFERENCES
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    canSAR552053

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 495.08
    AlogP 5.40
    HBond donors 0
    HBond acceptors 7
    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 canSAR552053.