General Information of the Compound
| Compound ID |
CP0378946
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| Compound Name |
1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethyl)phenyl]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)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3N3O2/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-16-12-10-15(11-13-16)23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
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| InChIKey |
SRDQWSXEJNWKHX-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