General Information of the Compound
| Compound ID |
CP0172259
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| Compound Name |
N-(4-tert-butylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C21H23N3OS
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| Molecular Weight |
365.502
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1
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| InChI |
InChI=1S/C21H23N3OS/c1-21(2,3)16-5-7-17(8-6-16)24-20(25)19-18(23-14-26-19)9-4-15-10-12-22-13-11-15/h5-8,10-14H,4,9H2,1-3H3,(H,24,25)
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| InChIKey |
LDIWKOWDWDYZMW-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