Molecule card · MolClass #42730
7973214
7973214: 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
- 7973214Mitochondrial Fusion · compound_name
- MolClass ID
- 42730
- InChIKey
- JSFVFAMVYZPWKH-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(N=S(N1CCCCC1)N2CCCCC2)c3ccccc3
- Standard InChI
- InChI=1S/C16H25N3O2S2/c20-23(21,16-10-4-1-5-11-16)17-22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11H,2-3,6-9,12-15H2
- Stored Murcko scaffold
- N(Sc1ccccc1)=S(N2CCCCC2)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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.521 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.933
- 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 · 7973214