General Information of the Compound
| Compound ID |
CP0490172
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| Compound Name |
N-[2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazol-5-yl]acetamide
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| Structure |
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| Formula |
C21H20N4O3
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| Molecular Weight |
376.416
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| Canonical SMILES |
CC(=O)Nc1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C21H20N4O3/c1-13(26)22-14-6-7-17-18(12-14)24-20(23-17)25-10-8-21(9-11-25)16-5-3-2-4-15(16)19(27)28-21/h2-7,12H,8-11H2,1H3,(H,22,26)(H,23,24)
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| InChIKey |
XVVDQYOZEAHZMG-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