Molecule card · MolClass #44744
24824517
24824517: 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
- 24824517Mitochondrial Fusion · compound_name
- MolClass ID
- 44744
- InChIKey
- PDIPGVXTKUKGCS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)NC2=NC(=O)NS2
- Standard InChI
- InChI=1S/C10H9N3O2S/c1-6-2-4-7(5-3-6)8(14)11-10-12-9(15)13-16-10/h2-5H,1H3,(H2,11,12,13,14,15)
- Stored Murcko scaffold
- N=1[CH]NSC1N[CH]c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 235.264 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.389
- 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 · 24824517