General Information of the Compound
| Compound ID |
CP0921813
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| Compound Name |
N-(amino(4,6-dimethylpyrimidin-2-ylamino)methylene)-2-(1H-imidazol-4-yl)ethanaminium
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| Structure |
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| Formula |
C12H17N7
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| Molecular Weight |
259.317
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| Canonical SMILES |
Cc1cc(C)nc(N/C(N)=N/CCc2c[nH]cn2)n1
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| InChI |
InChI=1S/C12H17N7/c1-8-5-9(2)18-12(17-8)19-11(13)15-4-3-10-6-14-7-16-10/h5-7H,3-4H2,1-2H3,(H,14,16)(H3,13,15,17,18,19)
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| InChIKey |
OLRHRIKWSZWWQB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound