| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2006 | 23 | Yes |
Popular Name: N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]benzamide N-[4-(2,4,6-trimethylphenyl)thia…
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CAS Number: 1001753-24-7
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.76 | 0.46 | -9.2 | 1 | 3 | 0 | 41 | 322.433 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Microtubule Associated | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186-1-O | K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other | Other | 2500 | 0.34 | Functional ≤ 10μM |
| Z80244-2-O | MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other | Other | 2100 | 0.35 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 2400 | 0.34 | Functional ≤ 10μM |
| Z81252-3-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other | Other | 1700 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 2400 | 0.34 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 2500 | 0.34 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 1700 | 0.35 | Functional ≤ 10μM |
| Z80244 | Z80244 | MDA-MB-468 (Breast Adenocarcinoma) | 2100 | 0.35 | Functional ≤ 10μM |
