General Information of the Compound
| Compound ID |
CP0418873
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| Compound Name |
1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
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| Structure |
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| Formula |
C23H22F3N3O2
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| Molecular Weight |
429.442
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C23H22F3N3O2/c1-22(2,3)15-9-11-17(12-10-15)28-21(30)29-19-8-5-13-27-20(19)31-18-7-4-6-16(14-18)23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
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| InChIKey |
JJWZHCRWCMWVGL-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