Molecule card · MolClass #35715
17515140
17515140: 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
- 17515140Mitochondrial Fusion · compound_name
- MolClass ID
- 35715
- InChIKey
- KTURFBBAZHJGMA-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C1=C(CCS1)NC(=O)CCCCl
- Standard InChI
- InChI=1S/C10H14ClNO3S/c1-15-10(14)9-7(4-6-16-9)12-8(13)3-2-5-11/h2-6H2,1H3,(H,12,13)
- Stored Murcko scaffold
- S1C=CCC1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.742 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.726
- 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 · 17515140