General Information of the Compound
| Compound ID |
CP0567414
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| Compound Name |
3-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)-5-prop-2-enylpyrazole-1-carboxamide
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| Structure |
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| Formula |
C23H27N5O3S
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| Molecular Weight |
453.568
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| Canonical SMILES |
COc1ccc(NC(=O)n2nc(cc2CC=C)-c2sc(NC(=O)C(C)(C)C)nc2C)cc1
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| InChI |
InChI=1S/C23H27N5O3S/c1-7-8-16-13-18(19-14(2)24-21(32-19)26-20(29)23(3,4)5)27-28(16)22(30)25-15-9-11-17(31-6)12-10-15/h7,9-13H,1,8H2,2-6H3,(H,25,30)(H,24,26,29)
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| InChIKey |
AWMVULZPJMIDLP-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