General Information of the Compound
| Compound ID |
CP0146197
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| Compound Name |
(2S,5R)-1-(N-(tert-butyl)glycyl)-5-ethynylpyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C13H19N3O
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| Molecular Weight |
233.315
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| Canonical SMILES |
CC(C)(C)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C
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| InChI |
InChI=1S/C13H19N3O/c1-5-10-6-7-11(8-14)16(10)12(17)9-15-13(2,3)4/h1,10-11,15H,6-7,9H2,2-4H3/t10-,11-/m0/s1
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| InChIKey |
AYFKPVVQCFNFFY-QWRGUYRKSA-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