Molecule card · MolClass #44666
7972867
7972867: 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
- 7972867Mitochondrial Fusion · compound_name
- MolClass ID
- 44666
- InChIKey
- UWZURNIPQWXAJR-UHFFFAOYSA-N
- Canonical SMILES
- O=P(O)(CCc1ccccc1)CN2CCCCC2
- Standard InChI
- InChI=1S/C14H22NO2P/c16-18(17,13-15-10-5-2-6-11-15)12-9-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13H2,(H,16,17)
- Stored Murcko scaffold
- c1ccc(cc1)CCPCN2CCCCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.304 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.84
- 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 · 7972867