Molecule card · MolClass #48666
14741869
14741869: 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
- 14741869Mitochondrial Fusion · compound_name
- MolClass ID
- 48666
- InChIKey
- LOUJHEKKGMAODG-UHFFFAOYSA-N
- Canonical SMILES
- CCC=2C(=O)N=C(N(c1ccccc1)C=2(O))SCC(=O)NC(C)(C)C
- Standard InChI
- InChI=1S/C18H23N3O3S/c1-5-13-15(23)19-17(25-11-14(22)20-18(2,3)4)21(16(13)24)12-9-7-6-8-10-12/h6-10,24H,5,11H2,1-4H3,(H,20,22)
- Stored Murcko scaffold
- N=1[CH]C=CN(C1)c2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.46 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.895
- 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 · 14741869