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canSAR844094
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NAMES
    SMILES
    C[C@H](CS)C(=O)N1C[C@@H](Sc2ccc(Cl)cc2)C[C@H]1C(=O)O
    InChI
    InChI=1S/C15H18ClNO3S2/c1-9(8-21)14(18)17-7-12(6-13(17)15(19)20)22-11-4-2-10(16)3-5-11/h2-5,9,12-13,21H,6-8H2,1H3,(H,19,20)/t9-,12+,13+/m1/s1
    MOLECULAR FORMULA
    C15H18ClNO3S2
    CROSS REFERENCES
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    canSAR844094

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 359.04
    AlogP 3.05
    HBond donors 1
    HBond acceptors 4
    Atoms 40
    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 canSAR844094.