Molecule card · MolClass #47368
22408326
22408326: 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
- 22408326Mitochondrial Fusion · compound_name
- MolClass ID
- 47368
- InChIKey
- MLACWDWLXNUWKV-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)Oc3nnc(c2ccccc23)c4cccs4
- Standard InChI
- InChI=1S/C18H12N2OS/c1-2-7-13(8-3-1)21-18-15-10-5-4-9-14(15)17(19-20-18)16-11-6-12-22-16/h1-12H
- Stored Murcko scaffold
- n1nc(-c2sccc2)c3ccccc3c1Oc4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.367 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.506
- 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 · 22408326