Molecule card · MolClass #49471
24799262
24799262: 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
- 24799262Mitochondrial Fusion · compound_name
- MolClass ID
- 49471
- InChIKey
- CSLKKFDKALSJNG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)c2ncc(cn2)CN4CCCC(CO)(Cc3ccccc3(C))C4
- Standard InChI
- InChI=1S/C26H31N3O/c1-20-7-5-10-23(13-20)25-27-15-22(16-28-25)17-29-12-6-11-26(18-29,19-30)14-24-9-4-3-8-21(24)2/h3-5,7-10,13,15-16,30H,6,11-12,14,17-19H2,1-2H3
- Stored Murcko scaffold
- n1cc(cnc1-c2ccccc2)CN3CCCC(Cc4ccccc4)C3
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.
- 24780370#49826
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 49.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 401.545 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.252
- 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 · 24799262