Molecule card · MolClass #48648
14744357
14744357: 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
- 14744357Mitochondrial Fusion · compound_name
- MolClass ID
- 48648
- InChIKey
- VMAVKJVESZOFOO-UHFFFAOYSA-N
- Canonical SMILES
- CCOP(=O)(c1ccccc1)C(NC(=O)c2ccccc2Cl)=C(Cl)Cl
- Standard InChI
- InChI=1S/C17H15Cl3NO3P/c1-2-24-25(23,12-8-4-3-5-9-12)17(15(19)20)21-16(22)13-10-6-7-11-14(13)18/h3-11H,2H2,1H3,(H,21,22)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N[CH]Pc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 418.639 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.174
- 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 · 14744357