General Information of the Compound
| Compound ID |
CP0510049
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| Compound Name |
benzyl 1-acetyl-2-(cyclohexylmethyl)pyrrolidine-2-carboxylate
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| Structure |
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| Formula |
C21H29NO3
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| Molecular Weight |
343.467
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| Canonical SMILES |
CC(=O)N1CCCC1(CC1CCCCC1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C21H29NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h3,6-7,11-12,18H,2,4-5,8-10,13-16H2,1H3
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| InChIKey |
TYIVCEKQVDRTNK-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