Molecule card · MolClass #43953
844351
844351: 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
- 844351Mitochondrial Fusion · compound_name
- MolClass ID
- 43953
- InChIKey
- BTZSASONLOUMTO-UHFFFAOYSA-N
- Canonical SMILES
- O=C(OCCOCCNC1=NS(=O)(=O)c2ccccc12)c3ccncc3
- Standard InChI
- InChI=1S/C17H17N3O5S/c21-17(13-5-7-18-8-6-13)25-12-11-24-10-9-19-16-14-3-1-2-4-15(14)26(22,23)20-16/h1-8H,9-12H2,(H,19,20)
- Stored Murcko scaffold
- n1ccc([CH]OCCOCCNc2nsc3ccccc23)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 375.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.394
- 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 · 844351