General Information of the Compound
| Compound ID |
CP0519779
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| Compound Name |
2-(3-oxo-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)-1H-benzo[d]imidazole-5-carboxylic acid
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| Structure |
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| Formula |
C20H17N3O4
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| Molecular Weight |
363.373
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| Canonical SMILES |
OC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C20H17N3O4/c24-17(25)12-5-6-15-16(11-12)22-19(21-15)23-9-7-20(8-10-23)14-4-2-1-3-13(14)18(26)27-20/h1-6,11H,7-10H2,(H,21,22)(H,24,25)
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| InChIKey |
UFUKIJYVRWRXGP-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