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canSAR346402
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NAMES
    SMILES
    COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccc(C)o2)n1
    InChI
    InChI=1S/C17H22N4O3/c1-11-6-7-14(24-11)17-19-15(18-12(2)22)9-16(20-17)21-8-4-5-13(21)10-23-3/h6-7,9,13H,4-5,8,10H2,1-3H3,(H,18,19,20,22)/t13-/m0/s1
    MOLECULAR FORMULA
    C17H22N4O3
    CROSS REFERENCES
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    canSAR346402

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 330.17
    AlogP 2.62
    HBond donors 1
    HBond acceptors 7
    Atoms 46
    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 canSAR346402.