General Information of the Compound
| Compound ID |
CP0847611
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| Compound Name |
N-(4-Fluoro-benzo[b]thiophene-2-carbonyl)-guanidine; compound with methanesulfonic acid
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| Structure |
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| Formula |
C11H12FN3O4S2
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| Molecular Weight |
333.366
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| Canonical SMILES |
CS(=O)(=O)O.N=C(N)NC(=O)c1cc2c(F)cccc2s1
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| InChI |
InChI=1S/C10H8FN3OS.CH4O3S/c11-6-2-1-3-7-5(6)4-8(16-7)9(15)14-10(12)13;1-5(2,3)4/h1-4H,(H4,12,13,14,15);1H3,(H,2,3,4)
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| InChIKey |
NCMWTYKIDPAFQM-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