General Information of the Compound
| Compound ID |
CP0377445
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| Compound Name |
ethyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate
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| Structure |
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| Formula |
C22H21N3O4
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| Molecular Weight |
391.427
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| Canonical SMILES |
CCOC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C22H21N3O4/c1-2-28-19(26)14-7-8-17-18(13-14)24-21(23-17)25-11-9-22(10-12-25)16-6-4-3-5-15(16)20(27)29-22/h3-8,13H,2,9-12H2,1H3,(H,23,24)
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| InChIKey |
HVVATTVDTXUCFR-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