Molecule card · MolClass #40328
24790299
24790299: 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
- 24790299Mitochondrial Fusion · compound_name
- MolClass ID
- 40328
- InChIKey
- HYPWPIADLHLKDE-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(Cc1ccccc1)NCC2CCCN(C2)Cc3cccc4nonc34
- Standard InChI
- InChI=1S/C20H24N4O3S/c25-28(26,15-16-6-2-1-3-7-16)21-12-17-8-5-11-24(13-17)14-18-9-4-10-19-20(18)23-27-22-19/h1-4,6-7,9-10,17,21H,5,8,11-15H2
- Stored Murcko scaffold
- n1onc2c1cccc2CN3CCCC(CNSCc4ccccc4)C3
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 400.496 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.814
- 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 · 24790299