Molecule card · MolClass #45146
24797254
24797254: 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
- 24797254Mitochondrial Fusion · compound_name
- MolClass ID
- 45146
- InChIKey
- GQSNGHLOYZVSSC-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cc1ccccc1)NNC3CC(=O)N(c2ccc(cc2)Cl)C3(=O)
- Standard InChI
- InChI=1S/C18H16ClN3O3/c19-13-6-8-14(9-7-13)22-17(24)11-15(18(22)25)20-21-16(23)10-12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,21,23)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]CC([CH]2)NN[CH]Cc3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.792 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.568
- 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 · 24797254