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canSAR1616079
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NAMES
    SMILES
    CC(C)c1nn(-c2ccc(C(N)=O)cc2Cl)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12
    InChI
    InChI=1S/C23H21ClN8O/c1-13(2)21-20-19(31-11-17(27-12-31)15-9-28-30(3)10-15)6-7-26-23(20)32(29-21)18-5-4-14(22(25)33)8-16(18)24/h4-13H,1-3H3,(H2,25,33)
    MOLECULAR FORMULA
    C23H21ClN8O
    CROSS REFERENCES
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    canSAR1616079

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.15
    AlogP 3.88
    HBond donors 2
    HBond acceptors 9
    Atoms 54
    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 canSAR1616079.