| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 14 | No |
Popular Name: N-(4-bromophenyl)-N'-(2-chloroethyl)urea N-(4-bromophenyl)-N'-(2-chloroet…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 15145-38-7 , [15145-38-7]
| 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) | 2.86 | -3.22 | -9.82 | 2 | 3 | 0 | 41 | 277.549 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 172 - 174 | KeyOrganics |
| MP | 172-174° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80088-3-O | CHO (Ovarian Cells) (cluster #3 Of 4), Other | Other | 10000 | 0.50 | Functional ≤ 10μM |
| Z80166-4-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #4 Of 12), Other | Other | 9000 | 0.50 | Functional ≤ 10μM |
| Z80186-11-O | K562 (Erythroleukemia Cells) (cluster #11 Of 11), Other | Other | 4600 | 0.53 | Functional ≤ 10μM |
| Z80193-10-O | L1210 (Lymphocytic Leukemia Cells) (cluster #10 Of 12), Other | Other | 8100 | 0.51 | Functional ≤ 10μM |
| Z80362-3-O | P388 (Lymphoma Cells) (cluster #3 Of 8), Other | Other | 10000 | 0.50 | Functional ≤ 10μM |
| Z81252-1-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #1 Of 11), Other | Other | 10000 | 0.50 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80088 | Z80088 | CHO (Ovarian Cells) | 10000 | 0.50 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 9000 | 0.50 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 4600 | 0.53 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 8100 | 0.51 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 10000 | 0.50 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 10000 | 0.50 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.