Molecule card · MolClass #48741
4262138
4262138: 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
- 4262138Mitochondrial Fusion · compound_name
- MolClass ID
- 48741
- InChIKey
- WZQXODBLOYTWEH-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc1C(=O)N(C)C(=Nc1s2)SCC(=O)c3cc4ccccc4(o3)
- Standard InChI
- InChI=1S/C18H14N2O3S2/c1-10-7-12-16(25-10)19-18(20(2)17(12)22)24-9-13(21)15-8-11-5-3-4-6-14(11)23-15/h3-8H,9H2,1-2H3
- Stored Murcko scaffold
- n1cc2ccsc2nc1SC[CH]c3oc4ccccc4c3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.448 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.254
- 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 · 4262138