Molecule card · MolClass #38653
24817697
24817697: 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
- 24817697Mitochondrial Fusion · compound_name
- MolClass ID
- 38653
- InChIKey
- JNKFQKAWVSLQCN-UHFFFAOYSA-N
- Canonical SMILES
- O=C1CSC3c4ccccc4(C(=O)N3(Cc2ccccc12))
- Standard InChI
- InChI=1S/C17H13NO2S/c19-15-10-21-17-14-8-4-3-7-13(14)16(20)18(17)9-11-5-1-2-6-12(11)15/h1-8,17H,9-10H2
- Stored Murcko scaffold
- S1C[CH]c2ccccc2CN3[CH]c4ccccc4C13
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.357 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.822
- 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 · 24817697