Molecule card · MolClass #46369
17402436
17402436: 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
- 17402436Mitochondrial Fusion · compound_name
- MolClass ID
- 46369
- InChIKey
- PNTNYAROJBIZDO-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc2cc(ccc2(c1))c3csnn3
- Standard InChI
- InChI=1S/C12H8N2S/c1-2-4-10-7-11(6-5-9(10)3-1)12-8-15-14-13-12/h1-8H
- Stored Murcko scaffold
- n1nc(cs1)-c2ccc3ccccc3c2
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
- 2
- 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
- 54.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 212.272 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.941
- 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 · 17402436