canSAR1846241
FEATURES
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NAMES
    SMILES
    CCOc1ccc(/C(CCC(=O)O)=N/NC(=S)NCCc2ccccc2)cc1
    InChI
    InChI=1S/C21H25N3O3S/c1-2-27-18-10-8-17(9-11-18)19(12-13-20(25)26)23-24-21(28)22-15-14-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,25,26)(H2,22,24,28)/b23-19+
    MOLECULAR FORMULA
    C21H25N3O3S
    CROSS REFERENCES
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    canSAR1846241
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight399.16
    AlogP3.36
    HBond donors3
    HBond acceptors6
    Atoms53
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846241.