Molecule card · MolClass #37546
24798158
24798158: 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
- 24798158Mitochondrial Fusion · compound_name
- MolClass ID
- 37546
- InChIKey
- NHRZOFBTIZFRGW-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c2cc(CN1CCN(C(C)C)C(CCO)C1)cs2
- Standard InChI
- InChI=1S/C16H26N2O2S/c1-12(2)18-6-5-17(10-15(18)4-7-19)9-14-8-16(13(3)20)21-11-14/h8,11-12,15,19H,4-7,9-10H2,1-3H3
- Stored Murcko scaffold
- s1ccc(c1)CN2CCNCC2
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
- 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
- 72.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.457 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.879
- 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 · 24798158