Molecule card · MolClass #36097
22415553
22415553: 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
- 22415553Mitochondrial Fusion · compound_name
- MolClass ID
- 36097
- InChIKey
- LAUACHGFZLNXLG-UHFFFAOYSA-N
- Canonical SMILES
- OC=2CCCC3=Nc4ccccc4(NC(c1cccs1)C=23)
- Standard InChI
- InChI=1S/C17H16N2OS/c20-14-8-3-7-13-16(14)17(15-9-4-10-21-15)19-12-6-2-1-5-11(12)18-13/h1-2,4-6,9-10,17,19-20H,3,7-8H2
- Stored Murcko scaffold
- N=1c2ccccc2NC(c3sccc3)C4=CCCCC14
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.388 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.765
- 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 · 22415553