Molecule card · MolClass #36685
24786337
24786337: 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
- 24786337Mitochondrial Fusion · compound_name
- MolClass ID
- 36685
- InChIKey
- MTDDTEIOSISFOK-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(C1CCCC1))Cc3cccn3c4ccccn4
- Standard InChI
- InChI=1S/C21H30N4O/c26-15-10-20-17-23(13-14-24(20)18-6-1-2-7-18)16-19-8-5-12-25(19)21-9-3-4-11-22-21/h3-5,8-9,11-12,18,20,26H,1-2,6-7,10,13-17H2
- Stored Murcko scaffold
- n1ccccc1-n2cccc2CN3CCN(CC3)C4CCCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.49 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.514
- 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 · 24786337