Molecule card · MolClass #51373
14744897
14744897: 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
- 14744897Mitochondrial Fusion · compound_name
- MolClass ID
- 51373
- InChIKey
- WOQWZOVLUYFODG-UHFFFAOYSA-N
- Canonical SMILES
- Cc4c1C(=O)N5CCCC5(=Nc1sc4(C(=O)Nc2ccc(cc2)Oc3ccccc3))
- Standard InChI
- InChI=1S/C23H19N3O3S/c1-14-19-22(25-18-8-5-13-26(18)23(19)28)30-20(14)21(27)24-15-9-11-17(12-10-15)29-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,24,27)
- Stored Murcko scaffold
- N=1c2sc([CH]Nc3ccc(Oc4ccccc4)cc3)cc2[CH]N5C1CCC5
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 417.482 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.971
- 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 · 14744897