| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 21 | No |
Popular Name: 2-amino-7-methoxy-4-(pyridin-3-yl)-4H-chromene-3-carbonitrile 2-amino-7-methoxy-4-(pyridin-3-y…
Find On: PubMed — Wikipedia — Google
CAS Number: 475576-65-9
| 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) | 1.54 | 3.79 | -9.67 | 2 | 5 | 0 | 81 | 279.299 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.54 | 4.07 | -35.88 | 3 | 5 | 1 | 82 | 280.307 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80712-2-O | T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other | Other | 170 | 0.45 | Functional ≤ 10μM |
| Z80877-2-O | NCI-H1299 (Non-small Cell Lung Carcinoma) (cluster #2 Of 2), Other | Other | 290 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80877 | Z80877 | NCI-H1299 (Non-small Cell Lung Carcinoma) | 290 | 0.44 | Functional ≤ 10μM |
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 170 | 0.45 | Functional ≤ 10μM |
