Molecule card · MolClass #51900
14721646
14721646: 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
- 14721646Mitochondrial Fusion · compound_name
- MolClass ID
- 51900
- InChIKey
- OAHORWXWNJJTCJ-QPLCGJKRSA-N
- Canonical SMILES
- OC(CN=C3N(CC(O)COc1ccccc1)c2ccccc2S3)COc4ccccc4
- Standard InChI
- InChI=1S/C25H26N2O4S/c28-19(17-30-21-9-3-1-4-10-21)15-26-25-27(23-13-7-8-14-24(23)32-25)16-20(29)18-31-22-11-5-2-6-12-22/h1-14,19-20,28-29H,15-18H2/b26-25-
- Stored Murcko scaffold
- N(=C1Sc2ccccc2N1CCCOc3ccccc3)CCCOc4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 450.552 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.486
- 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 · 14721646