General Information of the Compound
| Compound ID |
CP0259427
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-4-thiophen-2-ylbenzamide
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| Structure |
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| Formula |
C18H17N3O2S
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| Molecular Weight |
339.42
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| Canonical SMILES |
O=C(CNC(=O)c1ccc(cc1)-c1cccs1)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C18H17N3O2S/c19-11-15-3-1-9-21(15)17(22)12-20-18(23)14-7-5-13(6-8-14)16-4-2-10-24-16/h2,4-8,10,15H,1,3,9,12H2,(H,20,23)/t15-/m0/s1
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| InChIKey |
BJKYXNIAGSVTCP-HNNXBMFYSA-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