Molecule card · MolClass #52128
4254509
4254509: 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
- 4254509Mitochondrial Fusion · compound_name
- MolClass ID
- 52128
- InChIKey
- SKWVFSCLLXIEEJ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)c5noc(CN2CCN(CC2)C(c3ccccc3)c4ccccc4)n5
- Standard InChI
- InChI=1S/C26H26N4O/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)30-18-16-29(17-19-30)20-24-27-26(28-31-24)23-14-8-3-9-15-23/h1-15,25H,16-20H2
- Stored Murcko scaffold
- n1oc(nc1-c2ccccc2)CN3CCN(CC3)C(c4ccccc4)c5ccccc5
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 410.512 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.84
- 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 · 4254509