Molecule card · MolClass #36537
24799683
24799683: 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
- 24799683Mitochondrial Fusion · compound_name
- MolClass ID
- 36537
- InChIKey
- PSVZCRAAAHBJED-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CN3CCN(Cc1cccc2nccnc12)CC3(CCO)
- Standard InChI
- InChI=1S/C19H28N4O/c1-15(2)12-23-10-9-22(14-17(23)6-11-24)13-16-4-3-5-18-19(16)21-8-7-20-18/h3-5,7-8,15,17,24H,6,9-14H2,1-2H3
- Stored Murcko scaffold
- n1ccnc2c1cccc2CN3CCNCC3
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
- 5
- 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
- 52.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.453 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.12
- 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 · 24799683