General Information of the Compound
| Compound ID |
CP0878618
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| Compound Name |
N-(diaminomethylene)-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide dimethanesulfonate
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| Structure |
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| Formula |
C14H20FN5O7S2
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| Molecular Weight |
453.474
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| Canonical SMILES |
CS(=O)(=O)O.CS(=O)(=O)O.Cc1[nH]c(-c2ccccc2F)nc1C(=O)N=C(N)N
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| InChI |
InChI=1S/C12H12FN5O.2CH4O3S/c1-6-9(11(19)18-12(14)15)17-10(16-6)7-4-2-3-5-8(7)13;2*1-5(2,3)4/h2-5H,1H3,(H,16,17)(H4,14,15,18,19);2*1H3,(H,2,3,4)
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| InChIKey |
PKCZQAICIWKPIT-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