General Information of the Compound
| Compound ID |
CP0536980
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| Compound Name |
N,5-dibenzyl-3-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]pyrazole-1-carboxamide
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| Structure |
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| Formula |
C27H29N5O2S
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| Molecular Weight |
487.629
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| Canonical SMILES |
Cc1nc(NC(=O)C(C)(C)C)sc1-c1cc(Cc2ccccc2)n(n1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C27H29N5O2S/c1-18-23(35-25(29-18)30-24(33)27(2,3)4)22-16-21(15-19-11-7-5-8-12-19)32(31-22)26(34)28-17-20-13-9-6-10-14-20/h5-14,16H,15,17H2,1-4H3,(H,28,34)(H,29,30,33)
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| InChIKey |
HUSWSLDVBOVMIW-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