General Information of the Compound
| Compound ID |
CP0181871
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| Compound Name |
benzyl N-[(2R)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C16H19N3O3
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| Molecular Weight |
301.346
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| Canonical SMILES |
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C16H19N3O3/c1-12(15(20)19-9-5-8-14(19)10-17)18-16(21)22-11-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-9,11H2,1H3,(H,18,21)/t12-,14+/m1/s1
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| InChIKey |
AHUJWMNUJZYLEX-OCCSQVGLSA-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: PT01037, Prolyl endopeptidase