Molecule card · MolClass #49317
24812395
24812395: 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
- 24812395Mitochondrial Fusion · compound_name
- MolClass ID
- 49317
- InChIKey
- FQEYIPDLYMLHLX-UHFFFAOYSA-N
- Canonical SMILES
- CCCN3Cc2cccc(C(=O)NC(CC(=O)OCC)c1ccc(C)cc1)c2C3(=O)
- Standard InChI
- InChI=1S/C24H28N2O4/c1-4-13-26-15-18-7-6-8-19(22(18)24(26)29)23(28)25-20(14-21(27)30-5-2)17-11-9-16(3)10-12-17/h6-12,20H,4-5,13-15H2,1-3H3,(H,25,28)
- Stored Murcko scaffold
- [N]1[CH]c2c(cccc2C1)[CH]NCc3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 408.491 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.977
- 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 · 24812395