General Information of the Compound
| Compound ID |
CP0522906
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| Compound Name |
(2S,5R)-1-[(2S)-2-amino-4-methylpentanoyl]-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[C@H](N)C(=O)N1[C@H](CC[C@H]1C#N)C#C
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| InChI |
InChI=1S/C13H19N3O/c1-4-10-5-6-11(8-14)16(10)13(17)12(15)7-9(2)3/h1,9-12H,5-7,15H2,2-3H3/t10-,11-,12-/m0/s1
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| InChIKey |
XXTBOOXAFXMJIZ-SRVKXCTJSA-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