Molecule card · MolClass #52474
850146
850146: 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
- 850146Mitochondrial Fusion · compound_name
- MolClass ID
- 52474
- InChIKey
- HWMDZNYGSYCFAI-UHFFFAOYSA-N
- Canonical SMILES
- CC3(C)(Cc1ccccc1c2nnc(n23)SCC(=O)N4CCN(CC4)c5ccccc5)
- Standard InChI
- InChI=1S/C24H27N5OS/c1-24(2)16-18-8-6-7-11-20(18)22-25-26-23(29(22)24)31-17-21(30)28-14-12-27(13-15-28)19-9-4-3-5-10-19/h3-11H,12-17H2,1-2H3
- Stored Murcko scaffold
- n1nc2-c3ccccc3CCn2c1SC[CH]N4CCN(c5ccccc5)CC4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 433.571 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.352
- 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 · 850146