Molecule card · MolClass #39191
7972798
7972798: 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
- 7972798Mitochondrial Fusion · compound_name
- MolClass ID
- 39191
- InChIKey
- IQGORPNOBQVDRM-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CCc3ccc(c1cccs1)n3(NC(=O)c2ccc(cc2)Cl)
- Standard InChI
- InChI=1S/C18H15ClN2O3S/c19-13-5-3-12(4-6-13)18(24)20-21-14(8-10-17(22)23)7-9-15(21)16-2-1-11-25-16/h1-7,9,11H,8,10H2,(H,20,24)(H,22,23)
- Stored Murcko scaffold
- s1cccc1-c2cccn2N[CH]c3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 374.843 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.018
- 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 · 7972798