Molecule card · MolClass #49768
24783207
24783207: 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
- 24783207Mitochondrial Fusion · compound_name
- MolClass ID
- 49768
- InChIKey
- FPZMDSLRDDHEBB-UHFFFAOYSA-N
- Canonical SMILES
- C=CCN4C=CC(=Cc2ccc1cc(C)ccc1[n+]2(CC))c3ccccc34
- Standard InChI
- InChI=1S/C25H25N2/c1-4-15-26-16-14-20(23-8-6-7-9-25(23)26)18-22-12-11-21-17-19(3)10-13-24(21)27(22)5-2/h4,6-14,16-18H,1,5,15H2,2-3H3/q+1
- Stored Murcko scaffold
- c1ccc2[nH+]c(ccc2c1)C=C3C=CNc4ccccc34
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 7.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.48 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.747
- 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 · 24783207