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canSAR1093602
FEATURES
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NAMES
    SMILES
    C[C@@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N1CC(C#N)C1
    InChI
    InChI=1S/C17H18N6O2/c1-9(17(25)23-7-10(4-18)8-23)21-16(24)12-5-19-15-14(12)22-13(6-20-15)11-2-3-11/h5-6,9-11H,2-3,7-8H2,1H3,(H,19,20)(H,21,24)/t9-/m1/s1
    MOLECULAR FORMULA
    C17H18N6O2
    CROSS REFERENCES
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    canSAR1093602

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 338.15
    AlogP 0.94
    HBond donors 2
    HBond acceptors 8
    Atoms 43
    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 canSAR1093602.