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canSAR1524226
FEATURES
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NAMES
    SMILES
    C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nc(O)c(CC)c1=O
    InChI
    InChI=1S/C21H21N3O3S/c1-3-12-24-20(27)15(4-2)19(26)23-21(24)28-13-18(25)22-17-11-7-9-14-8-5-6-10-16(14)17/h3,5-11,26H,1,4,12-13H2,2H3,(H,22,25)
    MOLECULAR FORMULA
    C21H21N3O3S
    CROSS REFERENCES
    1524226 logo

    canSAR1524226

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.13
    AlogP 3.58
    HBond donors 2
    HBond acceptors 6
    Atoms 49
    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 canSAR1524226.