| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2005 | 22 | No |
Popular Name: 6-{(E)-[4-(dimethylamino)phenyl]methylidene}-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one 6-{(E)-[4-(dimethylamino)phenyl]…
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CAS Number: 101001-12-1
| 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) | 4.63 | 2.02 | -7.8 | 0 | 2 | 0 | 20 | 291.394 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 174 - 176 | KeyOrganics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 1870 | 0.36 | Functional ≤ 10μM |
| Z80285-2-O | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #2 Of 4), Other | Other | 5250 | 0.34 | Functional ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 1900 | 0.36 | Functional ≤ 10μM |
| Z80874-3-O | CEM (T-cell Leukemia) (cluster #3 Of 7), Other | Other | 3050 | 0.35 | Functional ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 2530 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 3050 | 0.35 | Functional ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 2530 | 0.36 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 1870 | 0.36 | Functional ≤ 10μM |
| Z80285 | Z80285 | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) | 5250 | 0.34 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 1900 | 0.36 | Functional ≤ 10μM |
