General Information of the Compound
| Compound ID |
CP0941843
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| Compound Name |
N-(diaminomethylene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide dimethanesulfonate
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| Structure |
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| Formula |
C16H25N5O9S2
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| Molecular Weight |
495.536
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| Canonical SMILES |
COc1cccc(-c2nc(C(=O)N=C(N)N)c(C)[nH]2)c1OC.CS(=O)(=O)O.CS(=O)(=O)O
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| InChI |
InChI=1S/C14H17N5O3.2CH4O3S/c1-7-10(13(20)19-14(15)16)18-12(17-7)8-5-4-6-9(21-2)11(8)22-3;2*1-5(2,3)4/h4-6H,1-3H3,(H,17,18)(H4,15,16,19,20);2*1H3,(H,2,3,4)
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| InChIKey |
WRWFPOSSXMMFGG-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