General Information of the Compound
| Compound ID |
CP0066917
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| Compound Name |
1-[2-(2-propan-2-ylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C22H20F3N3O3
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| Molecular Weight |
431.414
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| Canonical SMILES |
CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C22H20F3N3O3/c1-14(2)17-6-3-4-8-19(17)30-20-18(7-5-13-26-20)28-21(29)27-15-9-11-16(12-10-15)31-22(23,24)25/h3-14H,1-2H3,(H2,27,28,29)
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| InChIKey |
WUEURVOTFFPCAZ-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