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canSAR558633
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NAMES
    SMILES
    Cc1ccsc1/C(=N/OCCN1CCC[C@@H](C(=O)O)C1)c1ccc(Cl)cc1Cl.Cl
    InChI
    InChI=1S/C20H22Cl2N2O3S.ClH/c1-13-6-10-28-19(13)18(16-5-4-15(21)11-17(16)22)23-27-9-8-24-7-2-3-14(12-24)20(25)26;/h4-6,10-11,14H,2-3,7-9,12H2,1H3,(H,25,26);1H/b23-18+;/t14-;/m1./s1
    MOLECULAR FORMULA
    C20H23Cl3N2O3S
    CROSS REFERENCES
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    canSAR558633

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 476.05
    AlogP 5.35
    HBond donors 1
    HBond acceptors 5
    Atoms 52
    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 canSAR558633.