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canSAR1722553
FEATURES
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NAMES
    SMILES
    CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2O)sc2c1CCC(C)C2
    InChI
    InChI=1S/C21H23N3O5S/c1-3-29-21(28)17-14-9-8-12(2)10-16(14)30-20(17)23-18(26)19(27)24-22-11-13-6-4-5-7-15(13)25/h4-7,11-12,25H,3,8-10H2,1-2H3,(H,23,26)(H,24,27)/b22-11+
    MOLECULAR FORMULA
    C21H23N3O5S
    CROSS REFERENCES
    1722553 logo

    canSAR1722553

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.14
    AlogP 2.84
    HBond donors 3
    HBond acceptors 8
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1722553.