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canSAR35326
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NAMES
    SMILES
    CCC1Cc2cc(OC(C)=O)ccc2-c2cc3cc(OC(C)=O)ccc3n21
    InChI
    InChI=1S/C22H21NO4/c1-4-17-9-15-10-18(26-13(2)24)5-7-20(15)22-12-16-11-19(27-14(3)25)6-8-21(16)23(17)22/h5-8,10-12,17H,4,9H2,1-3H3
    MOLECULAR FORMULA
    C22H21NO4
    CROSS REFERENCES
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    canSAR35326

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 363.15
    AlogP 4.67
    HBond donors 0
    HBond acceptors 5
    Atoms 48
    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 canSAR35326.