Molecule card · MolClass #47328
4256317
4256317: 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
- 4256317Mitochondrial Fusion · compound_name
- MolClass ID
- 47328
- InChIKey
- MZNGKCLYHKUGJF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(o1)C(=O)CSC3=Nc2ccccc2C(=O)N3(N)
- Standard InChI
- InChI=1S/C15H13N3O3S/c1-9-6-7-13(21-9)12(19)8-22-15-17-11-5-3-2-4-10(11)14(20)18(15)16/h2-7H,8,16H2,1H3
- Stored Murcko scaffold
- n1cc2ccccc2nc1SC[CH]c3occc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 114.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.806
- 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 · 4256317