| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2005 | 22 | No |
Popular Name: N-(4-ethoxy-2-nitro-phenyl)-6-methyl-pyridine-3-carboxamide N-(4-ethoxy-2-nitro-phenyl)-6-me…
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CAS Number: 352228-58-1
| 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) | 1.96 | 0.8 | -9.32 | 1 | 7 | 0 | 97 | 301.302 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80120-1-O | DLD-1 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 110 | 0.44 | Functional ≤ 10μM |
| Z80608-1-O | ZR-75-1 (Breast Carcinoma Cells) (cluster #1 Of 4), Other | Other | 52 | 0.46 | Functional ≤ 10μM |
| Z80712-2-O | T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other | Other | 82 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80120 | Z80120 | DLD-1 (Colon Adenocarcinoma Cells) | 110 | 0.44 | Functional ≤ 10μM |
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 82 | 0.45 | Functional ≤ 10μM |
| Z80608 | Z80608 | ZR-75-1 (Breast Carcinoma Cells) | 52 | 0.46 | Functional ≤ 10μM |
