Molecule card · MolClass #47537
24782331
24782331: 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
- 24782331Mitochondrial Fusion · compound_name
- MolClass ID
- 47537
- InChIKey
- CQVNLFQSBWVCNE-NXVVXOECSA-N
- Canonical SMILES
- Cc1cccc(c1)S(=O)(=O)NN=C3N(C)c2ccccc2S3
- Standard InChI
- InChI=1S/C15H15N3O2S2/c1-11-6-5-7-12(10-11)22(19,20)17-16-15-18(2)13-8-3-4-9-14(13)21-15/h3-10,17H,1-2H3/b16-15-
- Stored Murcko scaffold
- N(NSc1ccccc1)=C2Sc3ccccc3N2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.431 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.709
- 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 · 24782331