Molecule card · MolClass #15967
1985428
1985428: 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
- 4242115Mitochondrial Fusion · compound_name
- MolClass ID
- 15967
- InChIKey
- TWULPNZXIQBKLU-UHFFFAOYSA-N
- Canonical SMILES
- Cn1cnc(c1)S(=O)(=O)N3CCc2ccccc23
- Standard InChI
- InChI=1S/C12H13N3O2S/c1-14-8-12(13-9-14)18(16,17)15-7-6-10-4-2-3-5-11(10)15/h2-5,8-9H,6-7H2,1H3
- Stored Murcko scaffold
- n1c[nH]cc1SN2c3ccccc3CC2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.317 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.908
- 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 · 1985428
Mitochondrial Fusion
Dataset #19 · 4242115