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canSAR558745
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NAMES
    SMILES
    Cl.OCC(CO)(CO)NCc1ccc2ccc3cccc4ccc1c2c34
    InChI
    InChI=1S/C21H21NO3.ClH/c23-11-21(12-24,13-25)22-10-17-7-6-16-5-4-14-2-1-3-15-8-9-18(17)20(16)19(14)15;/h1-9,22-25H,10-13H2;1H
    MOLECULAR FORMULA
    C21H22ClNO3
    CROSS REFERENCES
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    canSAR558745

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 371.13
    AlogP 2.81
    HBond donors 4
    HBond acceptors 4
    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 canSAR558745.