canSAR1632451
FEATURES
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NAMES
    SMILES
    CN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2Br)CC1
    InChI
    InChI=1S/C22H22BrN5O2/c1-26-11-13-27(14-12-26)22(30)18-15-24-28(16-7-3-2-4-8-16)20(18)25-21(29)17-9-5-6-10-19(17)23/h2-10,15H,11-14H2,1H3,(H,25,29)
    MOLECULAR FORMULA
    C22H22BrN5O2
    CROSS REFERENCES
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    canSAR1632451
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight467.10
    AlogP3.27
    HBond donors1
    HBond acceptors7
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632451.