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canSAR163803
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NAMES
    SMILES
    COCCOc1cc2ncnc(/N=C3/C=C(O)C(Cl)=C(OCC4CC4)C3=O)c2cc1OC
    InChI
    InChI=1S/C22H22ClN3O6/c1-29-5-6-31-18-9-14-13(7-17(18)30-2)22(25-11-24-14)26-15-8-16(27)19(23)21(20(15)28)32-10-12-3-4-12/h7-9,11-12,27H,3-6,10H2,1-2H3/b26-15-
    MOLECULAR FORMULA
    C22H22ClN3O6
    CROSS REFERENCES
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    canSAR163803

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.12
    AlogP 3.64
    HBond donors 1
    HBond acceptors 9
    Atoms 54
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR163803.