General Information of the Compound
| Compound ID |
CP0481503
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| Compound Name |
1-(2,4-difluorophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
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| Structure |
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| Formula |
C19H12F5N3O2
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| Molecular Weight |
409.314
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| Canonical SMILES |
Fc1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C19H12F5N3O2/c20-12-6-7-15(14(21)10-12)26-18(28)27-16-5-2-8-25-17(16)29-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H2,26,27,28)
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| InChIKey |
VIDGUWYBKZWBHV-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
Protein ID: PT01877, P2Y purinoceptor 1
Protein ID: PT02449, P2Y purinoceptor 12