Molecule card · MolClass #39857
847071
847071: 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
- 847071Mitochondrial Fusion · compound_name
- MolClass ID
- 39857
- InChIKey
- WIPIYMLKWUSKKM-UHFFFAOYSA-N
- Canonical SMILES
- O=C2C(=NSN2(Cc1ccccc1))N3CCOCC3
- Standard InChI
- InChI=1S/C13H15N3O2S/c17-13-12(15-6-8-18-9-7-15)14-19-16(13)10-11-4-2-1-3-5-11/h1-5H,6-10H2
- Stored Murcko scaffold
- N=1SN([CH]C1N2CCOCC2)Cc3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.982
- 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 · 847071