Molecule card · MolClass #42871
4264025
4264025: 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
- 4264025Mitochondrial Fusion · compound_name
- MolClass ID
- 42871
- InChIKey
- ZYNUKOYPVSJYMR-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccc1nsnc1c2S(=O)(=O)N4CCN=C4(Cc3ccccc3)
- Standard InChI
- InChI=1S/C17H16N4O2S2/c1-12-7-8-14-16(20-24-19-14)17(12)25(22,23)21-10-9-18-15(21)11-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3
- Stored Murcko scaffold
- n1snc2c1cccc2SN3C(=NCC3)Cc4ccccc4
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.
- 4261953#34106
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.467 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.642
- 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 · 4264025