Molecule card · MolClass #50823
17432411
17432411: 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
- 17432411Mitochondrial Fusion · compound_name
- MolClass ID
- 50823
- InChIKey
- GXADDOMJEKODJM-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc(c1)NP(=O)(Oc2ccc(cc2)Cl)Oc3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C19H16Cl2NO4P/c1-24-19-4-2-3-16(13-19)22-27(23,25-17-9-5-14(20)6-10-17)26-18-11-7-15(21)8-12-18/h2-13H,1H3,(H,22,23)
- Stored Murcko scaffold
- O(c1ccccc1)P(Oc2ccccc2)Nc3ccccc3
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.
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 424.215 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.951
- 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 · 17432411