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canSAR1587927
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NAMES
    SMILES
    CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1cc2ccccn2c1
    InChI
    InChI=1S/C20H23N5O2/c1-13(2)17-12-27-20(26)25(17)18-7-8-21-19(23-18)22-14(3)15-10-16-6-4-5-9-24(16)11-15/h4-11,13-14,17H,12H2,1-3H3,(H,21,22,23)/t14?,17-/m1/s1
    MOLECULAR FORMULA
    C20H23N5O2
    CROSS REFERENCES
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    canSAR1587927

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 365.19
    AlogP 3.88
    HBond donors 1
    HBond acceptors 7
    Atoms 50
    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 canSAR1587927.