Molecule card · MolClass #46080
4255389
4255389: 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
- 4255389Mitochondrial Fusion · compound_name
- MolClass ID
- 46080
- InChIKey
- NSZQYMXCSZUAMC-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCN(CC1)S(=O)C34(CC2CC(CC(C2)C3)C4)
- Standard InChI
- InChI=1S/C15H26N2OS/c1-16-2-4-17(5-3-16)19(18)15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,2-11H2,1H3
- Stored Murcko scaffold
- S(N1CCNCC1)C23CC4CC(CC(C4)C2)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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.446 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.12
- 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 · 4255389