General Information of the Compound
| Compound ID |
CP0050772
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| Compound Name |
1-(4-(2-(4-isopropoxyphenoxy)thiazol-5-yl)but-3-yn-2-yl)-3-methylurea
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| Structure |
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| Formula |
C18H21N3O3S
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| Molecular Weight |
359.451
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| Canonical SMILES |
CNC(=O)NC(C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1
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| InChI |
InChI=1S/C18H21N3O3S/c1-12(2)23-14-6-8-15(9-7-14)24-18-20-11-16(25-18)10-5-13(3)21-17(22)19-4/h6-9,11-13H,1-4H3,(H2,19,21,22)
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| InChIKey |
ZUXJNGHRDCXWNM-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