Molecule card · MolClass #38936
24809944
24809944: 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
- 24809944Mitochondrial Fusion · compound_name
- MolClass ID
- 38936
- InChIKey
- FQSXHTCAEAKDPA-UHFFFAOYSA-N
- Canonical SMILES
- CCC(CO)(C(=O)OC2C[N+]1(C)(CCC2(CC1)))c3ccccc3
- Standard InChI
- InChI=1S/C19H28NO3/c1-3-19(14-21,16-7-5-4-6-8-16)18(22)23-17-13-20(2)11-9-15(17)10-12-20/h4-8,15,17,21H,3,9-14H2,1-2H3/q+1
- Stored Murcko scaffold
- O([CH]Cc1ccccc1)C2C[NH+]3CCC2CC3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.431 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.358
- 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 · 24809944