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canSAR386330
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NAMES
    SMILES
    CCCCC(SC[C@H](NC(=O)[C@H](C)CS)C(=O)O)c1ccc(C(C)C)cc1
    InChI
    InChI=1S/C21H33NO3S2/c1-5-6-7-19(17-10-8-16(9-11-17)14(2)3)27-13-18(21(24)25)22-20(23)15(4)12-26/h8-11,14-15,18-19,26H,5-7,12-13H2,1-4H3,(H,22,23)(H,24,25)/t15-,18+,19?/m1/s1
    MOLECULAR FORMULA
    C21H33NO3S2
    CROSS REFERENCES
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    canSAR386330

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 411.19
    AlogP 4.91
    HBond donors 2
    HBond acceptors 4
    Atoms 60
    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 canSAR386330.