General Information of the Compound
| Compound ID |
CP0514944
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| Compound Name |
N-benzyl-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-1-prop-2-enylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H27N5O2S
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| Molecular Weight |
437.569
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| Canonical SMILES |
Cc1nc(NC(=O)C(C)(C)C)sc1-c1cc(nn1CC=C)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C23H27N5O2S/c1-6-12-28-18(19-15(2)25-22(31-19)26-21(30)23(3,4)5)13-17(27-28)20(29)24-14-16-10-8-7-9-11-16/h6-11,13H,1,12,14H2,2-5H3,(H,24,29)(H,25,26,30)
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| InChIKey |
UZWYUWCKTSDHEH-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