General Information of the Compound
| Compound ID |
CP0927587
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| Compound Name |
(2S,5S)-1-((S)-2-amino-2-cyclohexylacetyl)-5-ethynylpyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C15H21N3O
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| Molecular Weight |
259.353
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| Canonical SMILES |
C#C[C@@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCCC1
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| InChI |
InChI=1S/C15H21N3O/c1-2-12-8-9-13(10-16)18(12)15(19)14(17)11-6-4-3-5-7-11/h1,11-14H,3-9,17H2/t12-,13+,14+/m1/s1
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| InChIKey |
FRGISDJQXAKTDV-RDBSUJKOSA-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