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canSAR498876
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NAMES
    SMILES
    N=C(N)Nc1ccc([C@H]2C[C@@H](O)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)c(NC(=N)N)c1
    InChI
    InChI=1S/C16H28N12O/c17-13(18)25-6-1-2-7(9(3-6)26-14(19)20)8-4-12(29)11(28-16(23)24)5-10(8)27-15(21)22/h1-3,8,10-12,29H,4-5H2,(H4,17,18,25)(H4,19,20,26)(H4,21,22,27)(H4,23,24,28)/t8-,10+,11-,12-/m1/s1
    MOLECULAR FORMULA
    C16H28N12O
    CROSS REFERENCES
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    canSAR498876

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.25
    AlogP -1.76
    HBond donors 17
    HBond acceptors 13
    Atoms 57
    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 canSAR498876.