General Information of the Compound
| Compound ID |
CP0196188
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| Compound Name |
4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-methoxybenzonitrile
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| Structure |
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| Formula |
C14H16N2O3
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| Molecular Weight |
260.293
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| Canonical SMILES |
CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(OC)c1
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| InChI |
InChI=1S/C14H16N2O3/c1-3-11-12(17)7-14(18)16(11)10-5-4-9(8-15)13(6-10)19-2/h4-6,11-12,17H,3,7H2,1-2H3/t11-,12-/m0/s1
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| InChIKey |
UADPILRJQDAKRH-RYUDHWBXSA-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