Molecule card · MolClass #37746
24798160
24798160: 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
- 24798160Mitochondrial Fusion · compound_name
- MolClass ID
- 37746
- InChIKey
- JKVZOAYYSSAHOQ-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(CCc1ccccc1))Cc3cccn3c4ncccn4
- Standard InChI
- InChI=1S/C23H29N5O/c29-17-10-21-18-26(15-16-27(21)14-9-20-6-2-1-3-7-20)19-22-8-4-13-28(22)23-24-11-5-12-25-23/h1-8,11-13,21,29H,9-10,14-19H2
- Stored Murcko scaffold
- n1cccnc1-n2cccc2CN3CCN(CCc4ccccc4)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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 391.51 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.082
- 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 · 24798160