General Information of the Compound
| Compound ID |
CP0351456
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| Compound Name |
1-(2-methoxyethyl)-3-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]urea
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| Structure |
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| Formula |
C15H16N4O2S
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| Molecular Weight |
316.386
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| Canonical SMILES |
COCCNC(=O)Nc1nc(C)c(s1)C#Cc1ccncc1
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| InChI |
InChI=1S/C15H16N4O2S/c1-11-13(4-3-12-5-7-16-8-6-12)22-15(18-11)19-14(20)17-9-10-21-2/h5-8H,9-10H2,1-2H3,(H2,17,18,19,20)
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| InChIKey |
VHFXJTDUJSSVJC-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