Molecule card · MolClass #37004
24799452
24799452: 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
- 24799452Mitochondrial Fusion · compound_name
- MolClass ID
- 37004
- InChIKey
- OWSNIFMXDVKMMK-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(C1CCCCC1))Cc3cccn3c4ccccn4
- Standard InChI
- InChI=1S/C22H32N4O/c27-16-11-21-18-24(14-15-25(21)19-7-2-1-3-8-19)17-20-9-6-13-26(20)22-10-4-5-12-23-22/h4-6,9-10,12-13,19,21,27H,1-3,7-8,11,14-18H2
- Stored Murcko scaffold
- n1ccccc1-n2cccc2CN3CCN(CC3)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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.517 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.083
- 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 · 24799452