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canSAR1433838
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NAMES
    SMILES
    COc1ccc(/C(=C\c2ccc(SC)cc2)C(=O)NCCCCCC(=O)NO)cc1
    InChI
    InChI=1S/C23H28N2O4S/c1-29-19-11-9-18(10-12-19)21(16-17-7-13-20(30-2)14-8-17)23(27)24-15-5-3-4-6-22(26)25-28/h7-14,16,28H,3-6,15H2,1-2H3,(H,24,27)(H,25,26)/b21-16+
    MOLECULAR FORMULA
    C23H28N2O4S
    CROSS REFERENCES
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    canSAR1433838

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.18
    AlogP 4.14
    HBond donors 3
    HBond acceptors 6
    Atoms 58
    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 canSAR1433838.