General Information of the Compound
| Compound ID |
CP0447950
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| Compound Name |
1-[2-(3-tert-butylphenoxy)pyridin-3-yl]-3-(2,4-difluorophenyl)urea
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| Structure |
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| Formula |
C22H21F2N3O2
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| Molecular Weight |
397.425
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| Canonical SMILES |
CC(C)(C)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(F)cc2F)c1
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| InChI |
InChI=1S/C22H21F2N3O2/c1-22(2,3)14-6-4-7-16(12-14)29-20-19(8-5-11-25-20)27-21(28)26-18-10-9-15(23)13-17(18)24/h4-13H,1-3H3,(H2,26,27,28)
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| InChIKey |
GEPPMNPCOUPBIN-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