Molecule card · MolClass #43932
856987
856987: 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
- 856987Mitochondrial Fusion · compound_name
- MolClass ID
- 43932
- InChIKey
- XZBIIVPZTBJBHD-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)P2(=O)(Nc3ccccc3(N2))
- Standard InChI
- InChI=1S/C13H13N2O2P/c1-17-10-6-8-11(9-7-10)18(16)14-12-4-2-3-5-13(12)15-18/h2-9H,1H3,(H2,14,15,16)
- Stored Murcko scaffold
- c1ccc(cc1)P2Nc3ccccc3N2
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.229 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.428
- 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 · 856987