General Information of the Compound
| Compound ID |
CP0438693
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| Compound Name |
1-acetyl-2-benzylpyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C14H17NO3
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| Molecular Weight |
247.294
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| Canonical SMILES |
CC(=O)N1CCCC1(Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C14H17NO3/c1-11(16)15-9-5-8-14(15,13(17)18)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3,(H,17,18)
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| InChIKey |
DPGGXZWZYAWYDA-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