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canSAR1154019
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NAMES
    SMILES
    O=C(CCCC[C@@H]1CCSS1)Nc1cccc(S(=O)(=O)O)c1
    InChI
    InChI=1S/C14H19NO4S3/c16-14(7-2-1-5-12-8-9-20-21-12)15-11-4-3-6-13(10-11)22(17,18)19/h3-4,6,10,12H,1-2,5,7-9H2,(H,15,16)(H,17,18,19)/t12-/m1/s1
    MOLECULAR FORMULA
    C14H19NO4S3
    CROSS REFERENCES
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    canSAR1154019

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 361.05
    AlogP 3.59
    HBond donors 2
    HBond acceptors 5
    Atoms 41
    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 canSAR1154019.