Molecule card · MolClass #49608
24790829
24790829: 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
- 24790829Mitochondrial Fusion · compound_name
- MolClass ID
- 49608
- InChIKey
- DZQVVFKRTCZLEB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C=3CC(c2ccccc2(O))N(N=3)S(=O)(=O)c4ccccc4
- Standard InChI
- InChI=1S/C22H20N2O3S/c1-16-11-13-17(14-12-16)20-15-21(19-9-5-6-10-22(19)25)24(23-20)28(26,27)18-7-3-2-4-8-18/h2-14,21,25H,15H2,1H3
- Stored Murcko scaffold
- N1=C(c2ccccc2)CC(c3ccccc3)N1Sc4ccccc4
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
- 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
- 78.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 392.473 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.101
- 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 · 24790829