Molecule card · MolClass #42463
17511477
17511477: 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
- 17511477Mitochondrial Fusion · compound_name
- MolClass ID
- 42463
- InChIKey
- GCPCIPWRZXEAGF-PKNBQFBNSA-N
- Canonical SMILES
- OCCNC(=O)C(=Cc1cccs1)NC(=O)c2cccs2
- Standard InChI
- InChI=1S/C14H14N2O3S2/c17-6-5-15-13(18)11(9-10-3-1-7-20-10)16-14(19)12-4-2-8-21-12/h1-4,7-9,17H,5-6H2,(H,15,18)(H,16,19)/b11-9+
- Stored Murcko scaffold
- s1cccc1C=CN[CH]c2sccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 134.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.405 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.41
- 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 · 17511477