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canSAR564100
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NAMES
    SMILES
    C=CCOc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1Br
    InChI
    InChI=1S/C22H27BrN2O/c1-2-14-26-22-9-8-19(15-21(22)23)16-24-20-10-12-25(13-11-20)17-18-6-4-3-5-7-18/h2-9,15,20,24H,1,10-14,16-17H2
    MOLECULAR FORMULA
    C22H27BrN2O
    CROSS REFERENCES
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    canSAR564100

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.13
    AlogP 4.77
    HBond donors 1
    HBond acceptors 3
    Atoms 53
    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 canSAR564100.