General Information of the Compound
| Compound ID |
CP0469898
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| Compound Name |
2-[(3S,5S)-5-{[(2S)-2-Cyanopyrrolidin-1-yl]carbonyl}-2-oxopyrrolidin-3-yl]-N-phenylacetamide
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| Structure |
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| Formula |
C18H20N4O3
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| Molecular Weight |
340.383
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| Canonical SMILES |
O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)Nc1ccccc1
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| InChI |
InChI=1S/C18H20N4O3/c19-11-14-7-4-8-22(14)18(25)15-9-12(17(24)21-15)10-16(23)20-13-5-2-1-3-6-13/h1-3,5-6,12,14-15H,4,7-10H2,(H,20,23)(H,21,24)/t12-,14-,15-/m0/s1
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| InChIKey |
OOPZADVYFLNXCP-QEJZJMRPSA-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
Protein ID: PT00989, Dipeptidyl peptidase 2
Protein ID: PT00907, Dipeptidyl peptidase 4
Protein ID: PT00975, Dipeptidyl peptidase 8
Protein ID: PT01238, Dipeptidyl peptidase 9
Protein ID: PT01241, Prolyl endopeptidase FAP