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canSAR1020304
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NAMES
    SMILES
    C=CCC12CCN(C)C1N(C)c1ccc(OC(=O)Nc3ccc(Br)cc3)cc12
    InChI
    InChI=1S/C22H24BrN3O2/c1-4-11-22-12-13-25(2)20(22)26(3)19-10-9-17(14-18(19)22)28-21(27)24-16-7-5-15(23)6-8-16/h4-10,14,20H,1,11-13H2,2-3H3,(H,24,27)
    MOLECULAR FORMULA
    C22H24BrN3O2
    CROSS REFERENCES
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    canSAR1020304

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.11
    AlogP 4.99
    HBond donors 1
    HBond acceptors 5
    Atoms 52
    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 canSAR1020304.