General Information of the Compound
| Compound ID |
CP0457453
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| Compound Name |
1-butyl-3-[2-(2-tert-butylphenoxy)pyridin-3-yl]urea
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| Structure |
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| Formula |
C20H27N3O2
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| Molecular Weight |
341.455
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| Canonical SMILES |
CCCCNC(=O)Nc1cccnc1Oc1ccccc1C(C)(C)C
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| InChI |
InChI=1S/C20H27N3O2/c1-5-6-13-22-19(24)23-16-11-9-14-21-18(16)25-17-12-8-7-10-15(17)20(2,3)4/h7-12,14H,5-6,13H2,1-4H3,(H2,22,23,24)
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| InChIKey |
QCUPRKOLVKKSDL-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