General Information of the Compound
| Compound ID |
CP0938811
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| Compound Name |
N-(diaminomethylene)-2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxamide dimethanesulfonate
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| Structure |
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| Formula |
C14H19F2N5O7S2
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| Molecular Weight |
471.464
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| Canonical SMILES |
CS(=O)(=O)O.CS(=O)(=O)O.Cc1[nH]c(-c2cc(F)ccc2F)nc1C(=O)N=C(N)N
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| InChI |
InChI=1S/C12H11F2N5O.2CH4O3S/c1-5-9(11(20)19-12(15)16)18-10(17-5)7-4-6(13)2-3-8(7)14;2*1-5(2,3)4/h2-4H,1H3,(H,17,18)(H4,15,16,19,20);2*1H3,(H,2,3,4)
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| InChIKey |
KWAOHSNIKFLSPM-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