General Information of the Compound
| Compound ID |
CP0463029
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| Compound Name |
1-[[4-(2-phenylacetyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C20H21NO3
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| Molecular Weight |
323.392
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| Canonical SMILES |
OC(=O)C1CCN(Cc2ccc(cc2)C(=O)Cc2ccccc2)C1
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| InChI |
InChI=1S/C20H21NO3/c22-19(12-15-4-2-1-3-5-15)17-8-6-16(7-9-17)13-21-11-10-18(14-21)20(23)24/h1-9,18H,10-14H2,(H,23,24)
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| InChIKey |
PZGJKOHHWVNHMG-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