| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 26 | No |
Popular Name: 2,7,8-Triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile 2,7,8-Triamino-4-(3-bromo-4,5-di…
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CAS Number: 475576-83-1
| 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) | 2.19 | 2.36 | -10.7 | 6 | 7 | 0 | 130 | 417.263 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80712-2-O | T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other | Other | 34 | 0.40 | Functional ≤ 10μM |
| Z80877-2-O | NCI-H1299 (Non-small Cell Lung Carcinoma) (cluster #2 Of 2), Other | Other | 81 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80877 | Z80877 | NCI-H1299 (Non-small Cell Lung Carcinoma) | 81 | 0.38 | Functional ≤ 10μM |
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 34 | 0.40 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.