Molecule card · MolClass #48679
14723117
14723117: 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
- 14723117Mitochondrial Fusion · compound_name
- MolClass ID
- 48679
- InChIKey
- YZPVEIUNQIDXML-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCc1ccco1)C2CCCN(C2)S(=O)(=O)Cc3ccccc3
- Standard InChI
- InChI=1S/C18H22N2O4S/c21-18(19-12-17-9-5-11-24-17)16-8-4-10-20(13-16)25(22,23)14-15-6-2-1-3-7-15/h1-3,5-7,9,11,16H,4,8,10,12-14H2,(H,19,21)
- Stored Murcko scaffold
- o1cccc1CN[CH]C2CN(SCc3ccccc3)CCC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.445 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.215
- 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 · 14723117