General Information of the Compound
| Compound ID |
CP0494097
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| Compound Name |
1-(4-bromophenyl)-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C26H26BrN5O3S
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| Molecular Weight |
568.497
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| Canonical SMILES |
COc1ccc(NC(=O)c2cc(-c3sc(NC(=O)C(C)(C)C)nc3C)n(n2)-c2ccc(Br)cc2)cc1
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| InChI |
InChI=1S/C26H26BrN5O3S/c1-15-22(36-25(28-15)30-24(34)26(2,3)4)21-14-20(31-32(21)18-10-6-16(27)7-11-18)23(33)29-17-8-12-19(35-5)13-9-17/h6-14H,1-5H3,(H,29,33)(H,28,30,34)
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| InChIKey |
TVFKIHOEEAGATR-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