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canSAR1524042
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)NCCCn2nc(C)cc2C)cc1S(=O)(=O)N1CCOCC1
    InChI
    InChI=1S/C20H28N4O5S/c1-15-13-16(2)24(22-15)8-4-7-21-20(25)17-5-6-18(28-3)19(14-17)30(26,27)23-9-11-29-12-10-23/h5-6,13-14H,4,7-12H2,1-3H3,(H,21,25)
    MOLECULAR FORMULA
    C20H28N4O5S
    CROSS REFERENCES
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    canSAR1524042

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.18
    AlogP 1.35
    HBond donors 1
    HBond acceptors 9
    Atoms 58
    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 canSAR1524042.