General Information of the Compound
| Compound ID |
CP0457454
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| Compound Name |
1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-cyclopentylurea
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| Structure |
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| Formula |
C21H27N3O2
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| Molecular Weight |
353.466
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| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)NC1CCCC1
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| InChI |
InChI=1S/C21H27N3O2/c1-21(2,3)16-11-6-7-13-18(16)26-19-17(12-8-14-22-19)24-20(25)23-15-9-4-5-10-15/h6-8,11-15H,4-5,9-10H2,1-3H3,(H2,23,24,25)
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| InChIKey |
WNBLTGRWTVJCPS-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