Molecule card · MolClass #44613
24803384
24803384: 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
- 24803384Mitochondrial Fusion · compound_name
- MolClass ID
- 44613
- InChIKey
- YXHNNUCABLCYSD-UHFFFAOYSA-N
- Canonical SMILES
- CCCCC(=O)NC(c1cc(c2cccnc2(c1(O)))Cl)c3cccs3
- Standard InChI
- InChI=1S/C19H19ClN2O2S/c1-2-3-8-16(23)22-17(15-7-5-10-25-15)13-11-14(20)12-6-4-9-21-18(12)19(13)24/h4-7,9-11,17,24H,2-3,8H2,1H3,(H,22,23)
- Stored Murcko scaffold
- n1cccc2ccc(cc12)Cc3sccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 374.886 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.196
- 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 · 24803384