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canSAR933104
FEATURES
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NAMES
    SMILES
    CCCCCC/C=C/CC(=O)N[C@@H](CCC(=O)O)CSc1ccc2ccccc2c1
    InChI
    InChI=1S/C25H33NO3S/c1-2-3-4-5-6-7-8-13-24(27)26-22(15-17-25(28)29)19-30-23-16-14-20-11-9-10-12-21(20)18-23/h7-12,14,16,18,22H,2-6,13,15,17,19H2,1H3,(H,26,27)(H,28,29)/b8-7+/t22-/m0/s1
    MOLECULAR FORMULA
    C25H33NO3S
    CROSS REFERENCES
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    canSAR933104

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.22
    AlogP 6.20
    HBond donors 2
    HBond acceptors 4
    Atoms 63
    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 canSAR933104.