General Information of the Compound
| Compound ID |
CP0237304
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide
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| Structure |
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| Formula |
C13H15N3O2S
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| Molecular Weight |
277.349
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| Canonical SMILES |
O=C(Cc1cccs1)NCC(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C13H15N3O2S/c14-8-10-3-1-5-16(10)13(18)9-15-12(17)7-11-4-2-6-19-11/h2,4,6,10H,1,3,5,7,9H2,(H,15,17)/t10-/m0/s1
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| InChIKey |
BNNRSCBPHPLKSC-JTQLQIEISA-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