Molecule card · MolClass #16015
1988930
1988930: 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
- 7965875Mitochondrial Fusion · compound_name
- MolClass ID
- 16015
- InChIKey
- SBEHUSXLZCJYGB-UHFFFAOYSA-N
- Canonical SMILES
- OC(=O)CC1(CCCC1)Cc2nc(no2)c3cccs3
- Standard InChI
- InChI=1S/C14H16N2O3S/c17-12(18)9-14(5-1-2-6-14)8-11-15-13(16-19-11)10-4-3-7-20-10/h3-4,7H,1-2,5-6,8-9H2,(H,17,18)
- Stored Murcko scaffold
- n1oc(nc1-c2sccc2)CC3CCCC3
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
- 2
- 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
- 104.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 292.355 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.609
- 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 · 1988930
Mitochondrial Fusion
Dataset #19 · 7965875