Molecule card · MolClass #46067
24820662
24820662: 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
- 24820662Mitochondrial Fusion · compound_name
- MolClass ID
- 46067
- InChIKey
- RSCHPAPXQXYYGC-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(Nn1cnnc1)c2ccc3ccccc3(c2)
- Standard InChI
- InChI=1S/C12H10N4O2S/c17-19(18,15-16-8-13-14-9-16)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,15H
- Stored Murcko scaffold
- n1ncn(c1)NSc2ccc3ccccc3c2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.3 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.099
- 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 · 24820662