Molecule card · MolClass #50027
22408790
22408790: 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
- 22408790Mitochondrial Fusion · compound_name
- MolClass ID
- 50027
- InChIKey
- FTRJBHUPZTZWRH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1csc(n1)NC(=O)c3cc(nc2ccccc23)c4ccccc4
- Standard InChI
- InChI=1S/C20H15N3OS/c1-13-12-25-20(21-13)23-19(24)16-11-18(14-7-3-2-4-8-14)22-17-10-6-5-9-15(16)17/h2-12H,1H3,(H,21,23,24)
- Stored Murcko scaffold
- n1ccsc1N[CH]c2cc(nc3ccccc32)-c4ccccc4
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.419 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.247
- 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 · 22408790