| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 25 | Yes |
Popular Name: 3-(1,3-benzoxazol-2-yl)-7-(diethylamino)-2H-chromen-2-one 3-(1,3-benzoxazol-2-yl)-7-(dieth…
Find On: PubMed — Wikipedia — Google
CAS Number: 35773-42-3
| 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) | 4.48 | 1.24 | -20.23 | 0 | 5 | 0 | 59 | 334.375 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80035-1-O | B16 (Melanoma Cells) (cluster #1 Of 7), Other | Other | 1300 | 0.33 | Functional ≤ 10μM |
| Z80120-1-O | DLD-1 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 210 | 0.37 | Functional ≤ 10μM |
| Z80472-1-O | SiHa (Cervical Squamous Cell Carcinoma) (cluster #1 Of 2), Other | Other | 2000 | 0.32 | Functional ≤ 10μM |
| Z80565-1-O | U-87 MG (Glioblastoma Cells) (cluster #1 Of 2), Other | Other | 210 | 0.37 | Functional ≤ 10μM |
| Z80951-1-O | NIH3T3 (Fibroblasts) (cluster #1 Of 4), Other | Other | 2800 | 0.31 | Functional ≤ 10μM |
| Z81057-1-O | HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other | Other | 120 | 0.39 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 1200 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80035 | Z80035 | B16 (Melanoma Cells) | 1300 | 0.33 | Functional ≤ 10μM |
| Z80120 | Z80120 | DLD-1 (Colon Adenocarcinoma Cells) | 210 | 0.37 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 1200 | 0.33 | Functional ≤ 10μM |
| Z81057 | Z81057 | HUVEC (Umbilical Vein Endothelial Cells) | 120 | 0.39 | Functional ≤ 10μM |
| Z80951 | Z80951 | NIH3T3 (Fibroblasts) | 2800 | 0.31 | Functional ≤ 10μM |
| Z80472 | Z80472 | SiHa (Cervical Squamous Cell Carcinoma) | 2000 | 0.32 | Functional ≤ 10μM |
| Z80565 | Z80565 | U-87 MG (Glioblastoma Cells) | 210 | 0.37 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.