General Information of the Compound
| Compound ID |
CP0381151
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| Compound Name |
5-(4-(ethylsulfonyl)phenoxy)-6-((1-methyl-1H-tetrazol-5-yl)methyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C23H21N7O3S
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| Molecular Weight |
475.534
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2Cc2nnnn2C)-c2ccccn2)cc1
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| InChI |
InChI=1S/C23H21N7O3S/c1-3-34(31,32)17-9-7-16(8-10-17)33-21-14-20-19(12-15(21)13-22-27-28-29-30(22)2)25-23(26-20)18-6-4-5-11-24-18/h4-12,14H,3,13H2,1-2H3,(H,25,26)
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| InChIKey |
QMPWZGRVHHAAIP-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