General Information of the Compound
| Compound ID |
CP0462912
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| Compound Name |
methyl N-[4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]carbamate
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| Structure |
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| Formula |
C12H9N3O2S
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| Molecular Weight |
259.29
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| Canonical SMILES |
COC(=O)Nc1nc(cs1)C#Cc1cccnc1
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| InChI |
InChI=1S/C12H9N3O2S/c1-17-12(16)15-11-14-10(8-18-11)5-4-9-3-2-6-13-7-9/h2-3,6-8H,1H3,(H,14,15,16)
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| InChIKey |
QKHXQXHPUBWGJS-UHFFFAOYSA-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