canSAR546542
FEATURES
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NAMES
    SMILES
    COc1cc(C2=NCCN2)ccc1-n1cc(-c2cccc(C3=NCCN3)c2)nn1.Cl
    InChI
    InChI=1S/C21H21N7O.ClH/c1-29-19-12-16(21-24-9-10-25-21)5-6-18(19)28-13-17(26-27-28)14-3-2-4-15(11-14)20-22-7-8-23-20;/h2-6,11-13H,7-10H2,1H3,(H,22,23)(H,24,25);1H
    MOLECULAR FORMULA
    C21H22ClN7O
    CROSS REFERENCES
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    canSAR546542
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight423.16
    AlogP2.06
    HBond donors2
    HBond acceptors8
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR546542.