Molecule card · MolClass #39848
3713174
3713174: 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
- 3713174Mitochondrial Fusion · compound_name
- MolClass ID
- 39848
- InChIKey
- MPXSLKPVFFNYAL-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)n2nccc2(NC(=O)C(C)SC1CCCC1)
- Standard InChI
- InChI=1S/C14H23N3OS/c1-10(2)17-13(8-9-15-17)16-14(18)11(3)19-12-6-4-5-7-12/h8-12H,4-7H2,1-3H3,(H,16,18)
- Stored Murcko scaffold
- n1ccc([nH]1)N[CH]CSC2CCCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.419 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.058
- 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 · 3713174