Molecule card · MolClass #44532
7974941
7974941: 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
- 7974941Mitochondrial Fusion · compound_name
- MolClass ID
- 44532
- InChIKey
- OZWVVTCJUTWCLN-UHFFFAOYSA-N
- Canonical SMILES
- O=P(O)(CCc1ccccn1)CN2CCOCC2
- Standard InChI
- InChI=1S/C12H19N2O3P/c15-18(16,11-14-6-8-17-9-7-14)10-4-12-3-1-2-5-13-12/h1-3,5H,4,6-11H2,(H,15,16)
- Stored Murcko scaffold
- n1ccccc1CCPCN2CCOCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.265 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.587
- 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 · 7974941