General Information of the Compound
| Compound ID |
CP0115354
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| Compound Name |
1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C21H20F3N3O2S
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| Molecular Weight |
435.471
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| Canonical SMILES |
CC(C)N(Cc1cccc(c1)-c1nccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C21H20F3N3O2S/c1-14(2)27(13-15-4-3-5-16(12-15)19-25-10-11-30-19)20(28)26-17-6-8-18(9-7-17)29-21(22,23)24/h3-12,14H,13H2,1-2H3,(H,26,28)
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| InChIKey |
JGYGLGXRSWCQPC-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