Molecule card · MolClass #43448
14741424
14741424: 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
- 14741424Mitochondrial Fusion · compound_name
- MolClass ID
- 43448
- InChIKey
- HSNRFEFDFJEALN-UHFFFAOYSA-N
- Canonical SMILES
- CC2CC(CC(C)C(=O)Nc1nncs1)C(=O)O2
- Standard InChI
- InChI=1S/C11H15N3O3S/c1-6(3-8-4-7(2)17-10(8)16)9(15)13-11-14-12-5-18-11/h5-8H,3-4H2,1-2H3,(H,13,14,15)
- Stored Murcko scaffold
- n1nc(sc1)N[CH]CCC2[CH]OCC2
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.
- 14741124#42254
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- 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
- 109.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.755
- 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 · 14741424