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canSAR2003358
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NAMES
    SMILES
    O=C(Nc1ccc(CCN2CCOCC2)cc1C1=CCCCC1)c1ncc(Br)[nH]1
    InChI
    InChI=1S/C22H27BrN4O2/c23-20-15-24-21(26-20)22(28)25-19-7-6-16(8-9-27-10-12-29-13-11-27)14-18(19)17-4-2-1-3-5-17/h4,6-7,14-15H,1-3,5,8-13H2,(H,24,26)(H,25,28)
    MOLECULAR FORMULA
    C22H27BrN4O2
    CROSS REFERENCES
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    canSAR2003358

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.13
    AlogP 4.26
    HBond donors 2
    HBond acceptors 6
    Atoms 56
    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 canSAR2003358.