General Information of the Compound
| Compound ID |
CP0372586
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| Compound Name |
(1-besylbenzimidazol-2-yl)amine
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| Structure |
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| Formula |
C13H11N3O2S
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| Molecular Weight |
273.317
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| Canonical SMILES |
Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C13H11N3O2S/c14-13-15-11-8-4-5-9-12(11)16(13)19(17,18)10-6-2-1-3-7-10/h1-9H,(H2,14,15)
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| InChIKey |
KNZWBHGWTXXRTB-UHFFFAOYSA-N
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| CAS |
173374-91-9
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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
Protein ID: PT01446, Interleukin-8
Protein ID: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2