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canSAR35308
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NAMES
    SMILES
    O=[N+]([O-])c1cc2c(OCCC3CCCCN3)c(-c3cccc(Br)c3)c(O)nc2cc1Cl
    InChI
    InChI=1S/C22H21BrClN3O4/c23-14-5-3-4-13(10-14)20-21(31-9-7-15-6-1-2-8-25-15)16-11-19(27(29)30)17(24)12-18(16)26-22(20)28/h3-5,10-12,15,25H,1-2,6-9H2,(H,26,28)
    MOLECULAR FORMULA
    C22H21BrClN3O4
    CROSS REFERENCES
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    canSAR35308

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 505.04
    AlogP 5.84
    HBond donors 2
    HBond acceptors 7
    Atoms 52
    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 canSAR35308.