Molecule card · MolClass #49836
24708034
24708034: 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
- 24708034Mitochondrial Fusion · compound_name
- MolClass ID
- 49836
- InChIKey
- ODYSAWYGZWJOPM-VYNOCKSYSA-N
- Canonical SMILES
- CCCCC(C)=CC(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3
- Standard InChI
- InChI=1S/C26H30NOP/c1-3-4-14-22(2)21-26(23-15-8-5-9-16-23)27-29(28,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-13,15-21,26H,3-4,14H2,1-2H3,(H,27,28)/b22-21+/t26-/m1/s1
- Stored Murcko scaffold
- c1ccc(cc1)P(NCc2ccccc2)c3ccccc3
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
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 403.497 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.35
- 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 · 24708034