General Information of the Compound
| Compound ID |
CP0546869
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| Compound Name |
(2S)-1-{[(2S,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C11H17N3O2
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| Molecular Weight |
223.276
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| Canonical SMILES |
OC[C@@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C11H17N3O2/c12-6-9-2-1-5-14(9)11(16)10-4-3-8(7-15)13-10/h8-10,13,15H,1-5,7H2/t8-,9-,10-/m0/s1
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| InChIKey |
FLKQWRKCBBAAGE-GUBZILKMSA-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