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canSAR1130122
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NAMES
    SMILES
    Cc1cc(Oc2ccc(/C=N/NC(=S)NC3CCCCC3)cc2)ccc1Cl
    InChI
    InChI=1S/C21H24ClN3OS/c1-15-13-19(11-12-20(15)22)26-18-9-7-16(8-10-18)14-23-25-21(27)24-17-5-3-2-4-6-17/h7-14,17H,2-6H2,1H3,(H2,24,25,27)/b23-14+
    MOLECULAR FORMULA
    C21H24ClN3OS
    CROSS REFERENCES
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    canSAR1130122

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.13
    AlogP 5.57
    HBond donors 2
    HBond acceptors 4
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1130122.