Molecule card · MolClass #49675
24788264
24788264: 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
- 24788264Mitochondrial Fusion · compound_name
- MolClass ID
- 49675
- InChIKey
- UMGOIUGWGIDDRY-UHFFFAOYSA-N
- Canonical SMILES
- CCCN1CCN(CC1)c5ncnc2c5(c(cs2)C3COc4ccccc4(O3))
- Standard InChI
- InChI=1S/C21H24N4O2S/c1-2-7-24-8-10-25(11-9-24)20-19-15(13-28-21(19)23-14-22-20)18-12-26-16-5-3-4-6-17(16)27-18/h3-6,13-14,18H,2,7-12H2,1H3
- Stored Murcko scaffold
- n1cnc(c2c1scc2C3Oc4ccccc4OC3)N5CCNCC5
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 396.508 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.194
- 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 · 24788264