General Information of the Compound
| Compound ID |
CP0858908
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| Compound Name |
N-(4-Nitro-benzo[b]thiophene-2-carbonyl)-guanidinemethanesulfonic acid
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| Structure |
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| Formula |
C11H12N4O6S2
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| Molecular Weight |
360.373
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| Canonical SMILES |
CS(=O)(=O)O.N=C(N)NC(=O)c1cc2c([N+](=O)[O-])cccc2s1
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| InChI |
InChI=1S/C10H8N4O3S.CH4O3S/c11-10(12)13-9(15)8-4-5-6(14(16)17)2-1-3-7(5)18-8;1-5(2,3)4/h1-4H,(H4,11,12,13,15);1H3,(H,2,3,4)
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| InChIKey |
PITKEPWYXBAACL-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