General Information of the Compound
| Compound ID |
CP0463157
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| Compound Name |
1-(4-Methoxy-phenyl)-3-(3-phenyl-[1,2,4]thiadiazol-5-yl)-urea
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| Structure |
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| Formula |
C16H14N4O2S
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| Molecular Weight |
326.381
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2nc(ns2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C16H14N4O2S/c1-22-13-9-7-12(8-10-13)17-15(21)19-16-18-14(20-23-16)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18,19,20,21)
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| InChIKey |
RSYPCTBZDPFLMI-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