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canSAR1999062
FEATURES
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NAMES
    SMILES
    COc1ccc(NC(=O)c2ccc3c(SCC(=O)O)c4c(nc3c2)CCC4)c(OC)c1
    InChI
    InChI=1S/C23H22N2O5S/c1-29-14-7-9-18(20(11-14)30-2)25-23(28)13-6-8-16-19(10-13)24-17-5-3-4-15(17)22(16)31-12-21(26)27/h6-11H,3-5,12H2,1-2H3,(H,25,28)(H,26,27)
    MOLECULAR FORMULA
    C23H22N2O5S
    CROSS REFERENCES
    1999062 logo

    canSAR1999062

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.12
    AlogP 4.17
    HBond donors 2
    HBond acceptors 7
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1999062.