Molecule card · MolClass #48911
17504512
17504512: 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
- 17504512Mitochondrial Fusion · compound_name
- MolClass ID
- 48911
- InChIKey
- Not recorded
- Canonical SMILES
- O=C(CSc2nc(nc1nc[nH]c12)c3ccccc3(F))Nc4c(cc(cc4Cl)Cl)Cl
- Standard InChI
- null
- Stored Murcko scaffold
- n1c[nH]c2c1nc(nc2SC[CH]Nc3ccccc3)-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.
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 482.748 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.112
- 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 · 17504512