Molecule card · MolClass #49683
24787571
24787571: 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
- 24787571Mitochondrial Fusion · compound_name
- MolClass ID
- 49683
- InChIKey
- PZVAKNPWAOKJAU-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc(c1)C2=NC(C=3CCCCC=3(O2))=S
- Standard InChI
- InChI=1S/C15H15NO2S/c1-17-11-6-4-5-10(9-11)14-16-15(19)12-7-2-3-8-13(12)18-14/h4-6,9H,2-3,7-8H2,1H3
- Stored Murcko scaffold
- N=1[CH]C2=C(OC1c3ccccc3)CCCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.785
- 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 · 24787571