General Information of the Compound
| Compound ID |
CP0448269
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| Compound Name |
2-Ethoxy-3-[11-(1H-tetrazol-5-yl)-dibenzo[b,f]oxepin-3-ylmethyl]-3H-benzoimidazole-4-carboxylic acid
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| Structure |
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| Formula |
C26H20N6O4
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| Molecular Weight |
480.484
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| Canonical SMILES |
CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1
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| InChI |
InChI=1S/C26H20N6O4/c1-2-35-26-27-20-8-5-7-18(25(33)34)23(20)32(26)14-15-10-11-17-19(24-28-30-31-29-24)13-16-6-3-4-9-21(16)36-22(17)12-15/h3-13H,2,14H2,1H3,(H,33,34)(H,28,29,30,31)
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| InChIKey |
WGSANBSCNIOVJF-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