General Information of the Compound
| Compound ID |
CP0554547
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| Compound Name |
4-[[4-[[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]methyl]phenoxy]methyl]benzoic acid
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| Structure |
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| Formula |
C20H20N2O5
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| Molecular Weight |
368.389
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| Canonical SMILES |
OC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3)cc2)cc1
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| InChI |
InChI=1S/C20H20N2O5/c23-18-10-9-17(22-18)19(24)21-11-13-3-7-16(8-4-13)27-12-14-1-5-15(6-2-14)20(25)26/h1-8,17H,9-12H2,(H,21,24)(H,22,23)(H,25,26)/t17-/m0/s1
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| InChIKey |
PHARMEOHAUNTGV-KRWDZBQOSA-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