Molecule card · MolClass #43392
24836289
24836289: 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
- 24836289Mitochondrial Fusion · compound_name
- MolClass ID
- 43392
- InChIKey
- JRGMCBIWDZWFLJ-VZUCSPMQSA-N
- Canonical SMILES
- O=C2CSC(=CC(=O)c1cccc(c1)Cl)N2
- Standard InChI
- InChI=1S/C11H8ClNO2S/c12-8-3-1-2-7(4-8)9(14)5-11-13-10(15)6-16-11/h1-5H,6H2,(H,13,15)/b11-5+
- Stored Murcko scaffold
- S1C(=C[CH]c2ccccc2)N[CH]C1
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
- 3
- 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
- 71.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.706 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.474
- 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 · 24836289