Molecule card · MolClass #49061
24827167
24827167: 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
- 24827167Mitochondrial Fusion · compound_name
- MolClass ID
- 49061
- InChIKey
- HCUFUIAOECNGFY-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c3cc(nc2c3(c(C)nn2(c1ccccn1)))c4cccs4
- Standard InChI
- InChI=1S/C19H16N4O2S/c1-3-25-19(24)13-11-14(15-7-6-10-26-15)21-18-17(13)12(2)22-23(18)16-8-4-5-9-20-16/h4-11H,3H2,1-2H3
- Stored Murcko scaffold
- n1ccccc1-n2ncc3ccc(nc32)-c4sccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.423 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.102
- 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 · 24827167