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canSAR112957
FEATURES
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NAMES
    SMILES
    CCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1
    InChI
    InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
    MOLECULAR FORMULA
    C22H27NO3
    CROSS REFERENCES
    112957 logo

    canSAR112957

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 353.20
    AlogP 3.34
    HBond donors 1
    HBond acceptors 4
    Atoms 53
    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 canSAR112957.