General Information of the Compound
| Compound ID |
CP0493830
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| Compound Name |
1-(4-cyanophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
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| Structure |
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| Formula |
C20H13F3N4O2
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| Molecular Weight |
398.344
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| Canonical SMILES |
FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(cc2)C#N)c1
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| InChI |
InChI=1S/C20H13F3N4O2/c21-20(22,23)14-3-1-4-16(11-14)29-18-17(5-2-10-25-18)27-19(28)26-15-8-6-13(12-24)7-9-15/h1-11H,(H2,26,27,28)
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| InChIKey |
YISFTWYVXZEBQD-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