Molecule card · MolClass #43618
24779315
24779315: 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
- 24779315Mitochondrial Fusion · compound_name
- MolClass ID
- 43618
- InChIKey
- CASZZVGZZSFOLG-UHFFFAOYSA-N
- Canonical SMILES
- O=C1C=C(NC(=O)N1C2CCCCC2)N3CCCCC3
- Standard InChI
- InChI=1S/C15H23N3O2/c19-14-11-13(17-9-5-2-6-10-17)16-15(20)18(14)12-7-3-1-4-8-12/h11-12H,1-10H2,(H,16,20)
- Stored Murcko scaffold
- C=1[CH]N([CH]NC1N2CCCCC2)C3CCCCC3
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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.363 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.78
- 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 · 24779315