Molecule card · MolClass #44182
7966518
7966518: 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
- 7966518Mitochondrial Fusion · compound_name
- MolClass ID
- 44182
- InChIKey
- OKEDEPUALSBEDC-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(Oc1ccc(cc1)Cl)C(=O)N2CCN=C2SC
- Standard InChI
- InChI=1S/C14H17ClN2O2S/c1-14(2,19-11-6-4-10(15)5-7-11)12(18)17-9-8-16-13(17)20-3/h4-7H,8-9H2,1-3H3
- Stored Murcko scaffold
- N1=CN([CH]COc2ccccc2)CC1
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.
- 24816644#42419
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 67.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.817 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.893
- 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 · 7966518