General Information of the Compound
| Compound ID |
CP0509224
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| Compound Name |
1-(4-Chloro-phenyl)-3-[2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-urea
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| Structure |
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| Formula |
C20H13ClF6N2O2
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| Molecular Weight |
462.777
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| Canonical SMILES |
OC(c1ccc2ccccc2c1NC(=O)Nc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C20H13ClF6N2O2/c21-12-6-8-13(9-7-12)28-17(30)29-16-14-4-2-1-3-11(14)5-10-15(16)18(31,19(22,23)24)20(25,26)27/h1-10,31H,(H2,28,29,30)
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| InChIKey |
LSKGLHLOMINOAS-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