Molecule card · MolClass #40438
14733089
14733089: 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
- 14733089Mitochondrial Fusion · compound_name
- MolClass ID
- 40438
- InChIKey
- GDZINYUVMMMGOK-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c3cc1ccsc1n3(CC(=O)N(C)C2CCCCC2)
- Standard InChI
- InChI=1S/C17H22N2O3S/c1-18(13-6-4-3-5-7-13)15(20)11-19-14(17(21)22-2)10-12-8-9-23-16(12)19/h8-10,13H,3-7,11H2,1-2H3
- Stored Murcko scaffold
- [N]([CH]Cn1ccc2ccsc21)C3CCCCC3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.435 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.917
- 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 · 14733089