ACT-451840 (CHEM131810)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 19:16:22 UTC | ||||||||
| Update Date | 2026-05-14 19:29:18 UTC | ||||||||
| Accession Number | CHEM131810 | ||||||||
| Identification | |||||||||
| Common Name | ACT-451840 | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C47H54N6O3 | ||||||||
| Average Molecular Mass | 750.988 g/mol | ||||||||
| Monoisotopic Mass | 750.426 g/mol | ||||||||
| CAS Registry Number | 1839508-99-4 | ||||||||
| IUPAC Name | (2E)-N-{[4-(4-acetylpiperazin-1-yl)phenyl]methyl}-3-(4-tert-butylphenyl)-N-[(2S)-1-{4-[(4-cyanophenyl)methyl]piperazin-1-yl}-1-oxo-3-phenylpropan-2-yl]prop-2-enamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(=O)N1CCN(CC1)C1=CC=C(CN([C@@H](CC2=CC=CC=C2)C(=O)N2CCN(CC3=CC=C(C=C3)C#N)CC2)C(=O)\C=C\C2=CC=C(C=C2)C(C)(C)C)C=C1 | ||||||||
| InChI Identifier | InChI=1S/C47H54N6O3/c1-36(54)50-28-30-51(31-29-50)43-21-16-41(17-22-43)35-53(45(55)23-18-37-14-19-42(20-15-37)47(2,3)4)44(32-38-8-6-5-7-9-38)46(56)52-26-24-49(25-27-52)34-40-12-10-39(33-48)11-13-40/h5-23,44H,24-32,34-35H2,1-4H3/b23-18+/t44-/m0/s1 | ||||||||
| InChI Key | BQZUYCCCNXOADJ-TVNMEPFQSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
