Molecule card · MolClass #37750
24799465
24799465: 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
- 24799465Mitochondrial Fusion · compound_name
- MolClass ID
- 37750
- InChIKey
- GYWZAAMIPPLUMN-HARLFGEKSA-N
- Canonical SMILES
- Cc6ccccc6(CN4CC3CC(c1ccc2nsnc2(c1))N5CCCC35(C4(=O)))
- Standard InChI
- InChI=1S/C23H24N4OS/c1-15-5-2-3-6-17(15)13-26-14-18-12-21(27-10-4-9-23(18,27)22(26)28)16-7-8-19-20(11-16)25-29-24-19/h2-3,5-8,11,18,21H,4,9-10,12-14H2,1H3/t18-,21-,23-/m0/s1
- Stored Murcko scaffold
- n1snc2cc(ccc12)C3N4CCCC54[CH]N(Cc6ccccc6)CC5C3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 404.53 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.99
- 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 · 24799465