Molecule card · MolClass #46160
17402472
17402472: 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
- 17402472Mitochondrial Fusion · compound_name
- MolClass ID
- 46160
- InChIKey
- RDJLMDJCIXTVMA-UHFFFAOYSA-N
- Canonical SMILES
- O=S(c1ccc2ccccc2(c1))c3cnns3
- Standard InChI
- InChI=1S/C12H8N2OS2/c15-17(12-8-13-14-16-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
- Stored Murcko scaffold
- n1ncc(s1)Sc2ccc3ccccc3c2
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.337 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.468
- 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 · 17402472