Molecule card · MolClass #47452
14747188
14747188: 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
- 14747188Mitochondrial Fusion · compound_name
- MolClass ID
- 47452
- InChIKey
- HMNRFRMHGXFXBZ-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1)C(=O)CSc3nnc2ccccn23
- Standard InChI
- InChI=1S/C16H15N3O2S/c1-2-21-13-8-6-12(7-9-13)14(20)11-22-16-18-17-15-5-3-4-10-19(15)16/h3-10H,2,11H2,1H3
- Stored Murcko scaffold
- n1nc2ccccn2c1SC[CH]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.
- 24829232#38657
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 81.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.376 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.961
- 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 · 14747188