Molecule card · MolClass #41696
24807332
24807332: 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
- 24807332Mitochondrial Fusion · compound_name
- MolClass ID
- 41696
- InChIKey
- DPAIRGWTNVYHDQ-MHWRWJLKSA-N
- Canonical SMILES
- COC(=O)CCCC=C1C(NC(C)=O)C(CS1)NC(=O)c2ccccc2
- Standard InChI
- InChI=1S/C19H24N2O4S/c1-13(22)20-18-15(21-19(24)14-8-4-3-5-9-14)12-26-16(18)10-6-7-11-17(23)25-2/h3-5,8-10,15,18H,6-7,11-12H2,1-2H3,(H,20,22)(H,21,24)/b16-10+
- Stored Murcko scaffold
- S1[CH]CC(N[CH]c2ccccc2)C1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.472 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.136
- 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 · 24807332