Molecule card · MolClass #39122
848350
848350: 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
- 848350Mitochondrial Fusion · compound_name
- MolClass ID
- 39122
- InChIKey
- PNZHYJLPSXGIOW-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCN1CCC(C1)c2ccccc2)c3cccs3
- Standard InChI
- InChI=1S/C17H19NOS/c19-16(17-7-4-12-20-17)9-11-18-10-8-15(13-18)14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2
- Stored Murcko scaffold
- s1cccc1[CH]CCN2CCC(c3ccccc3)C2
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
- 48.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.53
- 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 · 848350