Molecule card · MolClass #49438
24803255
24803255: 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
- 24803255Mitochondrial Fusion · compound_name
- MolClass ID
- 49438
- InChIKey
- PGUYKLLTACSXML-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Oc1cccc(c1)C(N2CCCCC2)=S)c3ccccc3
- Standard InChI
- InChI=1S/C19H19NO2S/c21-19(15-8-3-1-4-9-15)22-17-11-7-10-16(14-17)18(23)20-12-5-2-6-13-20/h1,3-4,7-11,14H,2,5-6,12-13H2
- Stored Murcko scaffold
- O([CH]c1ccccc1)c2cccc(c2)[CH]N3CCCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.426 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.989
- 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 · 24803255