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canSAR1155722
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NAMES
    SMILES
    CC(C)NC(c1ccc(Cl)cc1)c1ccc(-c2ncnc3[nH]cnc23)cc1
    InChI
    InChI=1S/C21H20ClN5/c1-13(2)27-18(15-7-9-17(22)10-8-15)14-3-5-16(6-4-14)19-20-21(25-11-23-19)26-12-24-20/h3-13,18,27H,1-2H3,(H,23,24,25,26)
    MOLECULAR FORMULA
    C21H20ClN5
    CROSS REFERENCES
    1155722 logo

    canSAR1155722

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 377.14
    AlogP 4.76
    HBond donors 2
    HBond acceptors 5
    Atoms 47
    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 canSAR1155722.