Molecule card · MolClass #41577
24798744
24798744: 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
- 24798744Mitochondrial Fusion · compound_name
- MolClass ID
- 41577
- InChIKey
- MQBUDBDQHWTAAW-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(C1CCCC1))Cc4nc3ccccc3s4
- Standard InChI
- InChI=1S/C19H27N3OS/c23-12-9-16-13-21(10-11-22(16)15-5-1-2-6-15)14-19-20-17-7-3-4-8-18(17)24-19/h3-4,7-8,15-16,23H,1-2,5-6,9-14H2
- Stored Murcko scaffold
- n1c2ccccc2sc1CN3CCN(CC3)C4CCCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.504 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.903
- 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 · 24798744