General Information of the Compound
| Compound ID |
CP0282995
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| Compound Name |
(2S,5R)-1-(N-cyclopentylglycyl)-5-ethynylpyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C14H19N3O
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| Molecular Weight |
245.326
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| Canonical SMILES |
O=C(CNC1CCCC1)N1[C@H](CC[C@H]1C#N)C#C
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| InChI |
InChI=1S/C14H19N3O/c1-2-12-7-8-13(9-15)17(12)14(18)10-16-11-5-3-4-6-11/h1,11-13,16H,3-8,10H2/t12-,13-/m0/s1
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| InChIKey |
PAOXGRAINLIPSS-STQMWFEESA-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