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canSAR1617228
FEATURES
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NAMES
    SMILES
    COC(=O)c1c(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2c1CCN(C(C)=O)C2
    InChI
    InChI=1S/C22H21N3O6S/c1-12(26)24-9-8-15-16(11-24)32-21(19(15)22(30)31-2)23-20(29)13-4-3-5-14(10-13)25-17(27)6-7-18(25)28/h3-5,10H,6-9,11H2,1-2H3,(H,23,29)
    MOLECULAR FORMULA
    C22H21N3O6S
    CROSS REFERENCES
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    canSAR1617228

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.12
    AlogP 2.35
    HBond donors 1
    HBond acceptors 9
    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 canSAR1617228.