Molecule card · MolClass #51933
14719202
14719202: 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
- 14719202Mitochondrial Fusion · compound_name
- MolClass ID
- 51933
- InChIKey
- AIVPWARKSDFLRL-UHFFFAOYSA-N
- Canonical SMILES
- CCOP(=O)(c1ccccc1)c2nc(oc2N3CCCCC3)c4ccccc4Cl
- Standard InChI
- InChI=1S/C22H24ClN2O3P/c1-2-27-29(26,17-11-5-3-6-12-17)21-22(25-15-9-4-10-16-25)28-20(24-21)18-13-7-8-14-19(18)23/h3,5-8,11-14H,2,4,9-10,15-16H2,1H3
- Stored Murcko scaffold
- n1c(oc(c1Pc2ccccc2)N3CCCCC3)-c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 430.865 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.005
- 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 · 14719202