Molecule card · MolClass #51872
14724635
14724635: 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
- 14724635Mitochondrial Fusion · compound_name
- MolClass ID
- 51872
- InChIKey
- MATPYEQHJKYWGO-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1)Nc2nc(nc(n2)N3CCCCC3)N4CCCCC4
- Standard InChI
- InChI=1S/C21H30N6O/c1-2-28-18-11-9-17(10-12-18)22-19-23-20(26-13-5-3-6-14-26)25-21(24-19)27-15-7-4-8-16-27/h9-12H,2-8,13-16H2,1H3,(H,22,23,24,25)
- Stored Murcko scaffold
- n1c(nc(nc1N2CCCCC2)N3CCCCC3)Nc4ccccc4
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
- 6
- 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
- 66.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.503 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.019
- 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 · 14724635