| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2006 | 14 | No |
Popular Name: 2-cyano-N-phenyl-1-aziranecarboxamide 2-cyano-N-phenyl-1-aziranecarbox…
Find On: PubMed — Wikipedia — Google
CAS Number: 55275-64-4
| 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) | 1.32 | 3.38 | -17.47 | 1 | 4 | 0 | 56 | 187.202 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 102 - 107 | KeyOrganics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-7-O | L1210 (Lymphocytic Leukemia Cells) (cluster #7 Of 12), Other | Other | 1200 | 0.59 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 4300 | 0.54 | Functional ≤ 10μM |
| Z80354-1-O | OVCAR-3 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 4), Other | Other | 6800 | 0.52 | Functional ≤ 10μM |
| Z80433-1-O | RPMI-8226 (Multiple Myeloma Cells) (cluster #1 Of 3), Other | Other | 8000 | 0.51 | Functional ≤ 10μM |
| Z80682-2-O | A549 (Lung Carcinoma Cells) (cluster #2 Of 11), Other | Other | 9000 | 0.50 | Functional ≤ 10μM |
| Z81017-3-O | WiDr (Colon Adenocarcinoma Cells) (cluster #3 Of 5), Other | Other | 5000 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 9000 | 0.50 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 1200 | 0.59 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 2600 | 0.56 | Functional ≤ 10μM |
| Z80354 | Z80354 | OVCAR-3 (Ovarian Adenocarcinoma Cells) | 6800 | 0.52 | Functional ≤ 10μM |
| Z80433 | Z80433 | RPMI-8226 (Multiple Myeloma Cells) | 5300 | 0.53 | Functional ≤ 10μM |
| Z81017 | Z81017 | WiDr (Colon Adenocarcinoma Cells) | 5000 | 0.53 | Functional ≤ 10μM |
