Molecule card · MolClass #51524
14738814
14738814: 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
- 14738814Mitochondrial Fusion · compound_name
- MolClass ID
- 51524
- InChIKey
- GQEAYYMVEMMALD-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(ccc3(OCC(=O)Nc1nc(cs1)c2cccs2))Cl
- Standard InChI
- InChI=1S/C16H13ClN2O2S2/c1-10-7-11(17)4-5-13(10)21-8-15(20)19-16-18-12(9-23-16)14-3-2-6-22-14/h2-7,9H,8H2,1H3,(H,18,19,20)
- Stored Murcko scaffold
- n1c(scc1-c2sccc2)N[CH]COc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.872 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.421
- 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 · 14738814