Molecule card · MolClass #45986
14741903
14741903: 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
- 14741903Mitochondrial Fusion · compound_name
- MolClass ID
- 45986
- InChIKey
- CUALNQVZGAFGBK-UHFFFAOYSA-N
- Canonical SMILES
- OC(c1ccccc1)P(=O)(O)CCc2ccccc2
- Standard InChI
- InChI=1S/C15H17O3P/c16-15(14-9-5-2-6-10-14)19(17,18)12-11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,17,18)
- Stored Murcko scaffold
- c1ccc(cc1)CPCCc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.268 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.227
- 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 · 14741903