Molecule card · MolClass #45291
24805150
24805150: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24805150Mitochondrial Fusion · compound_name
- MolClass ID
- 45291
- InChIKey
- VZTIQIZAOFOTOF-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)N(CCO)CC#CCC(O)(c1ccccc1)C2CCCC2
- Standard InChI
- InChI=1S/C22H33NO2/c1-21(2,3)23(17-18-24)16-10-9-15-22(25,20-13-7-8-14-20)19-11-5-4-6-12-19/h4-6,11-12,20,24-25H,7-8,13-18H2,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)CC2CCCC2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- Cyclopentolate hydrochloride#1955
- 24807190#31005
- 14736346#45659
- 14723553#47873
- Cl.CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1#155110
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.504 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.807
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24805150