Molecule card · MolClass #38087
24798400
24798400: 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
- 24798400Mitochondrial Fusion · compound_name
- MolClass ID
- 38087
- InChIKey
- OAOPRFDBTUADNO-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc(c1)CN2CCN(CC2(CCO))C3CSCCSC3
- Standard InChI
- InChI=1S/C19H30N2O2S2/c1-23-19-4-2-3-16(11-19)12-20-6-7-21(13-17(20)5-8-22)18-14-24-9-10-25-15-18/h2-4,11,17-18,22H,5-10,12-15H2,1H3
- Stored Murcko scaffold
- S1CCSCC(N2CCN(Cc3ccccc3)CC2)C1
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.
- 24786105#32686
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.587 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.786
- 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 · 24798400