canSAR1388021
FEATURES
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NAMES
    SMILES
    Br.Cn1cc(CN2CCC(c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cn1
    InChI
    InChI=1S/C19H22ClN5O.BrH/c1-24-10-14(9-21-24)11-25-6-5-15(12-25)19-8-17(22-23-19)13-26-18-4-2-3-16(20)7-18;/h2-4,7-10,15H,5-6,11-13H2,1H3,(H,22,23);1H
    MOLECULAR FORMULA
    C19H23BrClN5O
    CROSS REFERENCES
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    canSAR1388021
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight451.08
    AlogP3.94
    HBond donors1
    HBond acceptors6
    Atoms50
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1388021.