General Information of the Compound
| Compound ID |
CP0862384
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| Compound Name |
(2S,5S)-1-((S)-2-amino-4-methylpentanoyl)-5-phenylpyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C17H23N3O
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| Molecular Weight |
285.391
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| Canonical SMILES |
CCC(C)[C@H](N)C(=O)N1[C@H](C#N)CC[C@H]1c1ccccc1
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| InChI |
InChI=1S/C17H23N3O/c1-3-12(2)16(19)17(21)20-14(11-18)9-10-15(20)13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-10,19H2,1-2H3/t12?,14-,15-,16-/m0/s1
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| InChIKey |
PJINJOFRZXQDGL-QJIWQAPWSA-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