canSAR1600684
FEATURES
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NAMES
    SMILES
    Cc1nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2n1-c1ccc(Br)cc1
    InChI
    InChI=1S/C22H22BrN3O3/c1-15-24-19-14-16(2-7-20(19)26(15)18-5-3-17(23)4-6-18)21(27)25-10-8-22(9-11-25)28-12-13-29-22/h2-7,14H,8-13H2,1H3
    MOLECULAR FORMULA
    C22H22BrN3O3
    CROSS REFERENCES
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    canSAR1600684
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight455.08
    AlogP4.08
    HBond donors0
    HBond acceptors6
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1600684.