Molecule card · MolClass #36790
24784722
24784722: 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
- 24784722Mitochondrial Fusion · compound_name
- MolClass ID
- 36790
- InChIKey
- PHQNLYPZNQKTCR-UHFFFAOYSA-N
- Canonical SMILES
- CC4=NN=C1N(C(CS1)CS(=O)(=O)c2ccc3ccccc3(c2))C4(=O)
- Standard InChI
- InChI=1S/C17H15N3O3S2/c1-11-16(21)20-14(9-24-17(20)19-18-11)10-25(22,23)15-7-6-12-4-2-3-5-13(12)8-15/h2-8,14H,9-10H2,1H3
- Stored Murcko scaffold
- N=1N=C2SCC(N2[CH]C1)CSc3ccc4ccccc4c3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.452 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.488
- 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 · 24784722