Molecule card · MolClass #46103
22413038
22413038: 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
- 22413038Mitochondrial Fusion · compound_name
- MolClass ID
- 46103
- InChIKey
- NAPZFQZXVBWLTG-UHFFFAOYSA-N
- Canonical SMILES
- CCCCC2NC(N(C1CCCCC1)C2(=O))=S
- Standard InChI
- InChI=1S/C13H22N2OS/c1-2-3-9-11-12(16)15(13(17)14-11)10-7-5-4-6-8-10/h10-11H,2-9H2,1H3,(H,14,17)
- Stored Murcko scaffold
- [CH]1NC[CH]N1C2CCCCC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 254.393 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.616
- 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 · 22413038