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canSAR1087814
FEATURES
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NAMES
    SMILES
    O=C1CC2(CCCC2)Oc2cc(OCC(O)CNc3ccccc3Cl)ccc21
    InChI
    InChI=1S/C22H24ClNO4/c23-18-5-1-2-6-19(18)24-13-15(25)14-27-16-7-8-17-20(26)12-22(9-3-4-10-22)28-21(17)11-16/h1-2,5-8,11,15,24-25H,3-4,9-10,12-14H2
    MOLECULAR FORMULA
    C22H24ClNO4
    CROSS REFERENCES
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    canSAR1087814

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.14
    AlogP 4.47
    HBond donors 2
    HBond acceptors 5
    Atoms 52
    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 canSAR1087814.