Molecule card · MolClass #36643
4241991
4241991: 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
- 4241991Mitochondrial Fusion · compound_name
- MolClass ID
- 36643
- InChIKey
- AMLWUSQZXSHQPF-UHFFFAOYSA-N
- Canonical SMILES
- Cn2c3ccccc3(c1CCSC(=O)c12)
- Standard InChI
- InChI=1S/C12H11NOS/c1-13-10-5-3-2-4-8(10)9-6-7-15-12(14)11(9)13/h2-5H,6-7H2,1H3
- Stored Murcko scaffold
- S1[CH]c2[nH]c3ccccc3c2CC1
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 217.288 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.894
- 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 · 4241991