Molecule card · MolClass #37559
849958
849958: 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
- 849958Mitochondrial Fusion · compound_name
- MolClass ID
- 37559
- InChIKey
- LQUMPKBXOTXOAY-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)N1C(N=C(N)S1)c2ccccc2
- Standard InChI
- InChI=1S/C10H11N3OS/c1-7(14)13-9(12-10(11)15-13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,11,12)
- Stored Murcko scaffold
- [N]1SC=NC1c2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 221.28 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.091
- 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 · 849958