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canSAR673784
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NAMES
    SMILES
    COCCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(-c3cn[nH]c3)cc2s1
    InChI
    InChI=1S/C22H22N4O3S/c1-28-9-8-26(14-15-4-3-5-18(10-15)29-2)22(27)21-25-19-7-6-16(11-20(19)30-21)17-12-23-24-13-17/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24)
    MOLECULAR FORMULA
    C22H22N4O3S
    CROSS REFERENCES
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    canSAR673784

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.14
    AlogP 3.98
    HBond donors 1
    HBond acceptors 7
    Atoms 52
    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 canSAR673784.