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CHEBI:84327 - torin 1
| Formula | C35H28F3N5O2 |
| Net Charge | 0 |
| Average Mass | 607.636 |
| Monoisotopic Mass | 607.21951 |
| SMILES | CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1 |
| InChI | InChI=1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3 |
| InChIKey | AKCRNFFTGXBONI-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | mTOR inhibitor A protein kinase inhibitor of the mammalian target of rapamycin (mTOR), a protein that regulates cell growth, cell proliferation, cell motility, cell survival, protein synthesis and transcription. mTOR inhibitors are used to prevent transplant rejection and in treatment of cancer. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| torin 1 (CHEBI:84327) has role antineoplastic agent (CHEBI:35610) |
| torin 1 (CHEBI:84327) has role mTOR inhibitor (CHEBI:68481) |
| torin 1 (CHEBI:84327) is a N-acylpiperazine (CHEBI:46844) |
| torin 1 (CHEBI:84327) is a N-arylpiperazine (CHEBI:46848) |
| torin 1 (CHEBI:84327) is a organofluorine compound (CHEBI:37143) |
| torin 1 (CHEBI:84327) is a pyridoquinoline (CHEBI:38921) |
| torin 1 (CHEBI:84327) is a quinolines (CHEBI:26513) |
| IUPAC Name |
|---|
| 1-[4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one |
| Synonym | Source |
|---|---|
| torin1 | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LSM-1079 | LINCS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:20268275 | Reaxys |
| Citations |
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