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canSAR1131401
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NAMES
    SMILES
    COc1cc(-c2ncoc2-c2ccc(OC)c3c2ncn3CC(=O)O)cc(OC)c1OC
    InChI
    InChI=1S/C22H21N3O7/c1-28-14-6-5-13(19-20(14)25(10-23-19)9-17(26)27)21-18(24-11-32-21)12-7-15(29-2)22(31-4)16(8-12)30-3/h5-8,10-11H,9H2,1-4H3,(H,26,27)
    MOLECULAR FORMULA
    C22H21N3O7
    CROSS REFERENCES
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    canSAR1131401

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.14
    AlogP 3.48
    HBond donors 1
    HBond acceptors 10
    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 canSAR1131401.