Molecule card · MolClass #40847
24786192
24786192: 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
- 24786192Mitochondrial Fusion · compound_name
- MolClass ID
- 40847
- InChIKey
- PIWWSKOXRNURSL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C2(CCCC2)c4noc(CN(C)Cc3ccccn3)n4
- Standard InChI
- InChI=1S/C22H26N4O/c1-17-8-10-18(11-9-17)22(12-4-5-13-22)21-24-20(27-25-21)16-26(2)15-19-7-3-6-14-23-19/h3,6-11,14H,4-5,12-13,15-16H2,1-2H3
- Stored Murcko scaffold
- n1oc(nc1C2(c3ccccc3)CCCC2)CNCc4ncccc4
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
- 55.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.469 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.433
- 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 · 24786192