Molecule card · MolClass #48940
24833500
24833500: 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
- 24833500Mitochondrial Fusion · compound_name
- MolClass ID
- 48940
- InChIKey
- HTWQHGHTEHDTBL-GYHWCHFESA-N
- Canonical SMILES
- CCOC(O)=C3C(CC)=Nc4ccccc4(N=C3(NS(=O)(=O)c1ccc2ccccc2(c1)))
- Standard InChI
- InChI=1S/C24H23N3O4S/c1-3-19-22(24(28)31-4-2)23(26-21-12-8-7-11-20(21)25-19)27-32(29,30)18-14-13-16-9-5-6-10-17(16)15-18/h5-15,28H,3-4H2,1-2H3,(H,26,27)/b24-22-
- Stored Murcko scaffold
- N1=C[CH]C(=Nc2ccccc12)NSc3ccc4ccccc4c3
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
- 7
- 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
- 108.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 449.524 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.841
- 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 · 24833500