N,5-dimethyl-2-[4-methyl-2-[4-methyl-2-[4-methyl-2-(2-phenylethenyl)-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxamide
| Internal ID | ca5df7ba-b76d-451b-9486-e989b5ee6c1a |
| Taxonomy | Organoheterocyclic compounds > Azoles > Oxazoles > 2,4,5-trisubstituted oxazoles |
| IUPAC Name | N,5-dimethyl-2-[4-methyl-2-[4-methyl-2-[4-methyl-2-(2-phenylethenyl)-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxamide |
| SMILES (Canonical) | CC1=C(N=C(O1)C2(CSC(=N2)C3(CSC(=N3)C4(CSC(=N4)C=CC5=CC=CC=C5)C)C)C)C(=O)NC |
| SMILES (Isomeric) | CC1=C(N=C(O1)C2(CSC(=N2)C3(CSC(=N3)C4(CSC(=N4)C=CC5=CC=CC=C5)C)C)C)C(=O)NC |
| InChI | InChI=1S/C26H29N5O2S3/c1-16-19(20(32)27-5)28-21(33-16)24(2)13-35-23(30-24)26(4)15-36-22(31-26)25(3)14-34-18(29-25)12-11-17-9-7-6-8-10-17/h6-12H,13-15H2,1-5H3,(H,27,32) |
| InChI Key | IPNBHSCJCMEBFX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H29N5O2S3 |
| Molecular Weight | 539.70 g/mol |
| Exact Mass | 539.14833871 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of N,5-dimethyl-2-[4-methyl-2-[4-methyl-2-[4-methyl-2-(2-phenylethenyl)-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/295f9480-8763-11ee-9d1f-c5a183ad2350.jpg "2D Structure of N,5-dimethyl-2-[4-methyl-2-[4-methyl-2-[4-methyl-2-(2-phenylethenyl)-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxamide")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 94.60% | 87.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.02% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.00% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.81% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.63% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.22% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 92.83% | 85.30% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.74% | 99.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.58% | 94.62% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 89.27% | 96.47% |
| CHEMBL5028 | O14672 | ADAM10 | 88.58% | 97.50% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 88.40% | 81.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.99% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.99% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.02% | 95.50% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.20% | 96.39% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.49% | 90.24% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 65010 |
| LOTUS | LTS0072590 |
| wikiData | Q104168995 |