Reaction Details | |
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Cell Reactant: | BDBM36281 |
Syringe Reactant: | BDBM197286 |
Meas. Tech.: | Enzyme Inhibition |
Entry Date: | 10/23/16 |
ΔG°: | -31.1±11.7 (kJ/mole) |
pH: | 7±0 |
Log10Kb: | 5.41± 4.70 |
Temperature: | 300±0 (K) |
ΔH° : | -16±2 (kJ/mole) |
ΔHobs: | n/a |
Ionic Strength: | n/a |
n/a | |
Protons Released: | n/a |
ΔCp : | n/a |
Stoich. Param.: | n/a |
ΔS° : | 0.05±0.300 (kJ/mole-K) |
Comments: | n/a |
Citation | ![]() |
More Info.: | Get all data from this article , ITC RUN data , Solution Info , Instrument Info |
BDBM36281 | |
Source: | n/a |
Purity: | n/a |
Prep. Method: | n/a |
Name | BDBM36281 |
Synonyms: | BDBM197279 | cucurbit[7]uril |
Type | Molecular Host |
Emp. Form. | C42H42N28O14 |
Mol. Mass. | 1162.9621 |
SMILES | O=C1N2CN3[C@@H]4[C@@H]5N(CN6[C@@H]7[C@@H]8N(CN9[C@@H]%10[C@@H]%11N(CN%12[C@@H]%13[C@@H]%14N(CN%15[C@@H]%16[C@@H]%17N(CN%18[C@@H]%19[C@@H]%20N(CN1[C@@H]1[C@H]2N2CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN1C2=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O |
Structure | ![]() |
BDBM197286 | |
Source: | n/a |
Purity: | n/a |
Prep. Method: | n/a |
Name | BDBM197286 |
Synonyms: | SAMPL3, G9 |
Type | Small organic molecule |
Emp. Form. | C18H28N4 |
Mol. Mass. | 300.4406 |
SMILES | CCCc1n(C)c2cc3[n+](C)c(CCC)n(C)c3cc2[n+]1C |
Structure | ![]() |
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