Molecule card · MolClass #43074
7967769
7967769: 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
- 7967769Mitochondrial Fusion · compound_name
- MolClass ID
- 43074
- InChIKey
- PNLQEEOOYGAIBO-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)S(=O)(=O)c1ccc(cc1)c2nnc4n2c3c(C)cccc3s4
- Standard InChI
- InChI=1S/C19H20N4O2S2/c1-4-22(5-2)27(24,25)15-11-9-14(10-12-15)18-20-21-19-23(18)17-13(3)7-6-8-16(17)26-19/h6-12H,4-5H2,1-3H3
- Stored Murcko scaffold
- n1nc(-c2ccccc2)n3c1sc4ccccc43
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 104.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 400.521 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.215
- 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 · 7967769