General Information of the Compound
| Compound ID |
CP0571026
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| Compound Name |
1-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]-3-(2-propoxyethyl)urea
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| Structure |
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| Formula |
C17H20N4O2S
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| Molecular Weight |
344.44
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| Canonical SMILES |
CCCOCCNC(=O)Nc1nc(C)c(s1)C#Cc1ccncc1
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| InChI |
InChI=1S/C17H20N4O2S/c1-3-11-23-12-10-19-16(22)21-17-20-13(2)15(24-17)5-4-14-6-8-18-9-7-14/h6-9H,3,10-12H2,1-2H3,(H2,19,20,21,22)
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| InChIKey |
UWRYBMTZPPMGJG-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