Molecule card · MolClass #49323
24812026
24812026: 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
- 24812026Mitochondrial Fusion · compound_name
- MolClass ID
- 49323
- InChIKey
- LQANTUFIIQGLOX-UHFFFAOYSA-N
- Canonical SMILES
- CC(CCc1ccco1)NC(=O)c4cccc3CN(C2CCCCC2)C(=O)c34
- Standard InChI
- InChI=1S/C23H28N2O3/c1-16(12-13-19-10-6-14-28-19)24-22(26)20-11-5-7-17-15-25(23(27)21(17)20)18-8-3-2-4-9-18/h5-7,10-11,14,16,18H,2-4,8-9,12-13,15H2,1H3,(H,24,26)
- Stored Murcko scaffold
- o1cccc1CCCN[CH]c2cccc3c2[CH]N(C3)C4CCCCC4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 380.481 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.873
- 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 · 24812026