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canSAR2085489
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NAMES
    SMILES
    C=CC(=O)N1CC[C@@H](COc2nc(Nc3cnn(C)c3)nc3[nH]ccc23)C1
    InChI
    InChI=1S/C18H21N7O2/c1-3-15(26)25-7-5-12(9-25)11-27-17-14-4-6-19-16(14)22-18(23-17)21-13-8-20-24(2)10-13/h3-4,6,8,10,12H,1,5,7,9,11H2,2H3,(H2,19,21,22,23)/t12-/m1/s1
    MOLECULAR FORMULA
    C18H21N7O2
    CROSS REFERENCES
    2085489 logo

    canSAR2085489

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 367.18
    AlogP 1.85
    HBond donors 2
    HBond acceptors 9
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2085489.