Molecule card · MolClass #46181
4261824
4261824: 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
- 4261824Mitochondrial Fusion · compound_name
- MolClass ID
- 46181
- InChIKey
- NOPFECZNCQVMPR-UHFFFAOYSA-N
- Canonical SMILES
- CC2Cc1ccccc1N2C(=O)c3cnsn3
- Standard InChI
- InChI=1S/C12H11N3OS/c1-8-6-9-4-2-3-5-11(9)15(8)12(16)10-7-13-17-14-10/h2-5,7-8H,6H2,1H3
- Stored Murcko scaffold
- n1snc(c1)[CH]N2c3ccccc3CC2
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
- 4
- 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
- 74.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 245.302 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.878
- 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 · 4261824