Molecule card · MolClass #45620
22415864
22415864: 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
- 22415864Mitochondrial Fusion · compound_name
- MolClass ID
- 45620
- InChIKey
- BHOBISIBABIPEN-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc1ccccn1c2C(NC(=O)c3ccccc3)=S
- Standard InChI
- InChI=1S/C17H14N2OS/c1-12-11-14-9-5-6-10-19(14)15(12)17(21)18-16(20)13-7-3-2-4-8-13/h2-11H,1H3,(H,18,20,21)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N[CH]c2ccc3ccccn32
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.373 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.979
- 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 · 22415864