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canSAR1827825
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NAMES
    SMILES
    O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)NCCO
    InChI
    InChI=1S/C22H21N3O4/c26-11-10-23-21(27)9-7-17-15-25(18-4-2-1-3-5-18)24-22(17)16-6-8-19-20(14-16)29-13-12-28-19/h1-9,14-15,26H,10-13H2,(H,23,27)/b9-7+
    MOLECULAR FORMULA
    C22H21N3O4
    CROSS REFERENCES
    1827825 logo

    canSAR1827825

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.15
    AlogP 2.43
    HBond donors 2
    HBond acceptors 7
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1827825.