General Information of the Compound
| Compound ID |
CP0453896
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| Compound Name |
ethyl 2-benzyl-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]pyrazole-3-carboxylate
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| Structure |
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| Formula |
C22H26N4O3S
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| Molecular Weight |
426.542
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| Canonical SMILES |
CCOC(=O)c1cc(nn1Cc1ccccc1)-c1sc(NC(=O)C(C)(C)C)nc1C
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| InChI |
InChI=1S/C22H26N4O3S/c1-6-29-19(27)17-12-16(25-26(17)13-15-10-8-7-9-11-15)18-14(2)23-21(30-18)24-20(28)22(3,4)5/h7-12H,6,13H2,1-5H3,(H,23,24,28)
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| InChIKey |
YGBBVYDQOPWHSA-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