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canSAR1509728
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NAMES
    SMILES
    O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S
    InChI
    InChI=1S/C20H18ClNO4S2/c21-14-7-5-13(6-8-14)16-10-9-15(26-16)12-17-19(25)22(20(27)28-17)11-3-1-2-4-18(23)24/h5-10,12H,1-4,11H2,(H,23,24)/b17-12+
    MOLECULAR FORMULA
    C20H18ClNO4S2
    CROSS REFERENCES
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    canSAR1509728

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.04
    AlogP 5.45
    HBond donors 1
    HBond acceptors 5
    Atoms 46
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1509728.