Molecule card · MolClass #44999
24829559
24829559: 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
- 24829559Mitochondrial Fusion · compound_name
- MolClass ID
- 44999
- InChIKey
- CPHYXLGZOARWID-UHFFFAOYSA-N
- Canonical SMILES
- Cn4cc(C(=O)NP(=O)(N1CCOCC1)N2CCOCC2)c3ccccc34
- Standard InChI
- InChI=1S/C18H25N4O4P/c1-20-14-16(15-4-2-3-5-17(15)20)18(23)19-27(24,21-6-10-25-11-7-21)22-8-12-26-13-9-22/h2-5,14H,6-13H2,1H3,(H,19,23,24)
- Stored Murcko scaffold
- O1CCN(P(N[CH]c2c[nH]c3ccccc23)N4CCOCC4)CC1
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
- 7
- 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
- 85.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 392.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.378
- 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 · 24829559