General Information of the Compound
| Compound ID |
CP0439143
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| Compound Name |
2-(4-tert-butylphenoxy)-N-(6-pyrrolidin-1-ylpyridin-3-yl)acetamide
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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)c1ccc(OCC(=O)Nc2ccc(nc2)N2CCCC2)cc1
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| InChI |
InChI=1S/C21H27N3O2/c1-21(2,3)16-6-9-18(10-7-16)26-15-20(25)23-17-8-11-19(22-14-17)24-12-4-5-13-24/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)
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| InChIKey |
TWBUGZGDNZDMNN-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