General Information of the Compound
| Compound ID |
CP0479974
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| Compound Name |
1-(2-ethoxyethyl)-3-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]urea
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| Structure |
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| Formula |
C16H18N4O2S
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| Molecular Weight |
330.413
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| Canonical SMILES |
CCOCCNC(=O)Nc1nc(C)c(s1)C#Cc1ccncc1
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| InChI |
InChI=1S/C16H18N4O2S/c1-3-22-11-10-18-15(21)20-16-19-12(2)14(23-16)5-4-13-6-8-17-9-7-13/h6-9H,3,10-11H2,1-2H3,(H2,18,19,20,21)
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| InChIKey |
AZWRARCDBCXZJU-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