Molecule card · MolClass #51995
7972707
7972707: 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
- 7972707Mitochondrial Fusion · compound_name
- MolClass ID
- 51995
- InChIKey
- DMEGQXGZEMGQJN-UHFFFAOYSA-N
- Canonical SMILES
- OC(Cn2c3ccccc3(c1ccccc12))CN5C(=O)c4ccccc4S5(=O)(=O)
- Standard InChI
- InChI=1S/C22H18N2O4S/c25-15(14-24-22(26)18-9-3-6-12-21(18)29(24,27)28)13-23-19-10-4-1-7-16(19)17-8-2-5-11-20(17)23/h1-12,15,25H,13-14H2
- Stored Murcko scaffold
- S1c2ccccc2[CH]N1CCCn3c4ccccc4c5ccccc53
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 406.456 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.547
- 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 · 7972707