Molecule card · MolClass #49308
24813217
24813217: 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
- 24813217Mitochondrial Fusion · compound_name
- MolClass ID
- 49308
- InChIKey
- GANNHRXAFCPGPL-UHFFFAOYSA-O
- Canonical SMILES
- Cc3cc[n+](CC(=O)c1ccc(cc1)NC(=O)c2ccccc2)c4ccccc34
- Standard InChI
- InChI=1S/C25H20N2O2/c1-18-15-16-27(23-10-6-5-9-22(18)23)17-24(28)19-11-13-21(14-12-19)26-25(29)20-7-3-2-4-8-20/h2-16H,17H2,1H3/p+1
- Stored Murcko scaffold
- c1ccc(cc1)[CH]Nc2ccc(cc2)[CH]C[n+]3cccc4ccccc43
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
- 50.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.447 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.354
- 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 · 24813217