Molecule card · MolClass #16462
3023607
3023607: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17510535Mitochondrial Fusion · compound_name
- MolClass ID
- 16462
- InChIKey
- MFUISDMSXAXTOX-LZYBPNLTSA-N
- Canonical SMILES
- CCOC(=O)c2cc(C)sc2(N=CC1C(=O)CCCC1(=O))
- Standard InChI
- InChI=1S/C15H17NO4S/c1-3-20-15(19)10-7-9(2)21-14(10)16-8-11-12(17)5-4-6-13(11)18/h7-8,11H,3-6H2,1-2H3/b16-8+
- Stored Murcko scaffold
- N(=CC1[CH]CCC[CH]1)c2sccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.366 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.302
- 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.
Auto-fluorescence Prediction
Dataset #13 · 3023607
Mitochondrial Fusion
Dataset #19 · 17510535