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canSAR1720589
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NAMES
    SMILES
    COc1cccc(-c2cc(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)[nH]n2)c1
    InChI
    InChI=1S/C21H22N4O3/c1-27-17-4-2-3-15(11-17)18-12-19(25-24-18)21(26)23-16-7-5-14(6-8-16)20-13-22-9-10-28-20/h2-8,11-12,20,22H,9-10,13H2,1H3,(H,23,26)(H,24,25)/t20-/m0/s1
    MOLECULAR FORMULA
    C21H22N4O3
    CROSS REFERENCES
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    canSAR1720589

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.17
    AlogP 3.00
    HBond donors 3
    HBond acceptors 7
    Atoms 50
    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 canSAR1720589.