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canSAR786449
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NAMES
    SMILES
    C=CC[C@@H]1[C@@H]2c3[nH]nc(-c4nnn[nH]4)c3C[C@H]12
    InChI
    InChI=1S/C11H12N6/c1-2-3-5-6-4-7-9(8(5)6)12-13-10(7)11-14-16-17-15-11/h2,5-6,8H,1,3-4H2,(H,12,13)(H,14,15,16,17)/t5-,6+,8-/m0/s1
    MOLECULAR FORMULA
    C11H12N6
    CROSS REFERENCES
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    canSAR786449

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 228.11
    AlogP 1.05
    HBond donors 2
    HBond acceptors 6
    Atoms 29
    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 canSAR786449.