Molecule card · MolClass #40162
24786189
24786189: 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
- 24786189Mitochondrial Fusion · compound_name
- MolClass ID
- 40162
- InChIKey
- WNDDPMIWMQWPDI-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(Cc1ccccc1))Cc3ccccc3c4ccco4
- Standard InChI
- InChI=1S/C24H28N2O2/c27-15-12-22-19-25(13-14-26(22)17-20-7-2-1-3-8-20)18-21-9-4-5-10-23(21)24-11-6-16-28-24/h1-11,16,22,27H,12-15,17-19H2
- Stored Murcko scaffold
- o1cccc1-c2ccccc2CN3CCN(Cc4ccccc4)CC3
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.492 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.452
- 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 · 24786189