General Information of the Compound
| Compound ID |
CP0429712
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| Compound Name |
benzyl 1-acetyl-2-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylate
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| Structure |
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| Formula |
C20H22N2O3
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| Molecular Weight |
338.407
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| Canonical SMILES |
CC(=O)N1CCCC1(Cc1ccncc1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C20H22N2O3/c1-16(23)22-13-5-10-20(22,14-17-8-11-21-12-9-17)19(24)25-15-18-6-3-2-4-7-18/h2-4,6-9,11-12H,5,10,13-15H2,1H3
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| InChIKey |
BCSIHUNVUSFRLY-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