Molecule card · MolClass #46551
17511490
17511490: 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
- 17511490Mitochondrial Fusion · compound_name
- MolClass ID
- 46551
- InChIKey
- XJWXCSBHRDOJAX-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CSC(N2(N=C1CCCCCC1))=S
- Standard InChI
- InChI=1S/C10H14N2OS2/c13-9-7-15-10(14)12(9)11-8-5-3-1-2-4-6-8/h1-7H2
- Stored Murcko scaffold
- N(=C1CCCCCC1)N2[CH]SC[CH]2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.364 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.776
- 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 · 17511490