Molecule card · MolClass #43103
24800123
24800123: 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
- 24800123Mitochondrial Fusion · compound_name
- MolClass ID
- 43103
- InChIKey
- WEUCOGAOZHFURB-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C1(CCN(CC1)Cc2cccn2c3nccs3)Cc4ccccc4
- Standard InChI
- InChI=1S/C23H27N3O2S/c1-2-28-21(27)23(17-19-7-4-3-5-8-19)10-14-25(15-11-23)18-20-9-6-13-26(20)22-24-12-16-29-22/h3-9,12-13,16H,2,10-11,14-15,17-18H2,1H3
- Stored Murcko scaffold
- n1ccsc1-n2cccc2CN3CCC(Cc4ccccc4)CC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 409.546 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.328
- 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 · 24800123