Molecule card · MolClass #49652
24788965
24788965: 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
- 24788965Mitochondrial Fusion · compound_name
- MolClass ID
- 49652
- InChIKey
- OOCHFNLDDBDATH-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)Nc1cccc(c1)c3csc(Nc2ccc(cn2)Cl)n3
- Standard InChI
- InChI=1S/C16H13ClN4OS/c1-10(22)19-13-4-2-3-11(7-13)14-9-23-16(20-14)21-15-6-5-12(17)8-18-15/h2-9H,1H3,(H,19,22)(H,18,20,21)
- Stored Murcko scaffold
- n1ccccc1Nc2nc(cs2)-c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.82 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.422
- 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 · 24788965