Molecule card · MolClass #50551
17509592
17509592: 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
- 17509592Mitochondrial Fusion · compound_name
- MolClass ID
- 50551
- InChIKey
- JPSLKWJJUXUOFN-UHFFFAOYSA-N
- Canonical SMILES
- CCOP(=O)(OCC)c2nc(oc2(NCCc1ccc(cc1)OC))c4cccc3ccccc34
- Standard InChI
- InChI=1S/C26H29N2O5P/c1-4-31-34(29,32-5-2)26-25(27-18-17-19-13-15-21(30-3)16-14-19)33-24(28-26)23-12-8-10-20-9-6-7-11-22(20)23/h6-16,27H,4-5,17-18H2,1-3H3
- Stored Murcko scaffold
- n1cc(oc1-c2cccc3ccccc32)NCCc4ccccc4
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
- 11
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 480.494 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.808
- 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 · 17509592