Molecule card · MolClass #41031
24809746
24809746: 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
- 24809746Mitochondrial Fusion · compound_name
- MolClass ID
- 41031
- InChIKey
- GXFUOCQAEIOYDU-UHFFFAOYSA-N
- Canonical SMILES
- O=C3CC(c1ccccc1)Sc4nc2ccccc2n34
- Standard InChI
- InChI=1S/C16H12N2OS/c19-15-10-14(11-6-2-1-3-7-11)20-16-17-12-8-4-5-9-13(12)18(15)16/h1-9,14H,10H2
- Stored Murcko scaffold
- n1c2ccccc2n3[CH]CC(Sc13)c4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.346 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.984
- 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 · 24809746