Molecule card · MolClass #44218
865424
865424: 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
- 865424Mitochondrial Fusion · compound_name
- MolClass ID
- 44218
- InChIKey
- LCXSHJBMLXKABN-UHFFFAOYSA-N
- Canonical SMILES
- O=P1(COc2ccccc2(OC1))NC3CCCC3
- Standard InChI
- InChI=1S/C13H18NO3P/c15-18(14-11-5-1-2-6-11)9-16-12-7-3-4-8-13(12)17-10-18/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,14,15)
- Stored Murcko scaffold
- O1c2ccccc2OCP(NC3CCCC3)C1
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.261 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.643
- 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 · 865424