General Information of the Compound
| Compound ID |
CP0457516
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| Compound Name |
1'-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
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| Structure |
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| Formula |
C21H21N3O2
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| Molecular Weight |
347.418
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| Canonical SMILES |
Cc1cc2nc([nH]c2cc1C)N1CCC2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C21H21N3O2/c1-13-11-17-18(12-14(13)2)23-20(22-17)24-9-7-21(8-10-24)16-6-4-3-5-15(16)19(25)26-21/h3-6,11-12H,7-10H2,1-2H3,(H,22,23)
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| InChIKey |
RDJJUXMRGNTCEE-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