Molecule card · MolClass #41263
24834411
24834411: 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
- 24834411Mitochondrial Fusion · compound_name
- MolClass ID
- 41263
- InChIKey
- NUAKJUKTOONQTL-UHFFFAOYSA-N
- Canonical SMILES
- CCc1cc(c(O)cc1(OC))c3onc(C)c3(c2cscn2)
- Standard InChI
- InChI=1S/C16H16N2O3S/c1-4-10-5-11(13(19)6-14(10)20-3)16-15(9(2)18-21-16)12-7-22-8-17-12/h5-8,19H,4H2,1-3H3
- Stored Murcko scaffold
- n1oc(-c2ccccc2)c(c1)-c3ncsc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.377 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.839
- 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 · 24834411