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CHEBI:95001 - 2-methylpropanethioic acid S-[2-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester
| Formula | C23H35NO2S |
| Net Charge | 0 |
| Average Mass | 389.605 |
| Monoisotopic Mass | 389.23885 |
| SMILES | CCC(CC)CC1(C(=O)Nc2ccccc2SC(=O)C(C)C)CCCCC1 |
| InChI | InChI=1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26) |
| InChIKey | YZQLWPMZQVHJED-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | antiviral agent A substance that destroys or inhibits replication of viruses. |
| Applications: | anticholesteremic drug A substance used to lower plasma cholesterol levels. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-methylpropanethioic acid S-[2-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester (CHEBI:95001) has role anticholesteremic drug (CHEBI:35821) |
| 2-methylpropanethioic acid S-[2-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester (CHEBI:95001) has role antiviral agent (CHEBI:22587) |
| 2-methylpropanethioic acid S-[2-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester (CHEBI:95001) has role cardiovascular drug (CHEBI:35554) |
| 2-methylpropanethioic acid S-[2-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester (CHEBI:95001) is a anilide (CHEBI:13248) |
| INN | Source |
|---|---|
| dalcetrapib | WHO MedNet |
| Synonyms | Source |
|---|---|
| dalcetrapib | ChEMBL |
| JTT-705 | ChEMBL |
| RO-4607381 | ChEMBL |
| RO4607381 | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| LSM-6227 | LINCS |
| Citations |
|---|