General Information of the Compound
| Compound ID |
CP0378226
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| Compound Name |
(5,6-dimethyl-1-tosyl-benzimidazol-2-yl)amine
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| Structure |
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| Formula |
C16H17N3O2S
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| Molecular Weight |
315.398
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2cc(C)c(C)cc12
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| InChI |
InChI=1S/C16H17N3O2S/c1-10-4-6-13(7-5-10)22(20,21)19-15-9-12(3)11(2)8-14(15)18-16(19)17/h4-9H,1-3H3,(H2,17,18)
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| InChIKey |
XLIIDMLPBLNVLH-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
Protein ID: PT01446, Interleukin-8
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2