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canSAR2089672
FEATURES
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NAMES
    SMILES
    O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#CC3CC3)ccc1-2
    InChI
    InChI=1S/C22H22N2O4/c25-22-23-21(28-14-18-13-26-9-10-27-18)12-20-19-6-5-16(4-3-15-1-2-15)11-17(19)7-8-24(20)22/h5-6,11-12,15,18H,1-2,7-10,13-14H2/t18-/m0/s1
    MOLECULAR FORMULA
    C22H22N2O4
    CROSS REFERENCES
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    canSAR2089672

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.16
    AlogP 2.02
    HBond donors 0
    HBond acceptors 6
    Atoms 50
    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 canSAR2089672.