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canSAR1532151
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NAMES
    SMILES
    COc1ccc([C@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@H]2OC(C)=O)cc1
    InChI
    InChI=1S/C22H25ClN2O4S/c1-14(26)29-20-21(15-5-8-17(28-4)9-6-15)30-19-13-16(23)7-10-18(19)25(22(20)27)12-11-24(2)3/h5-10,13,20-21H,11-12H2,1-4H3/t20-,21+/m0/s1
    MOLECULAR FORMULA
    C22H25ClN2O4S
    CROSS REFERENCES
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    canSAR1532151

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.12
    AlogP 4.02
    HBond donors 0
    HBond acceptors 6
    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 canSAR1532151.