Molecule card · MolClass #47938
24811459
24811459: 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
- 24811459Mitochondrial Fusion · compound_name
- MolClass ID
- 47938
- InChIKey
- PTVCEVZPEVJFJM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(c(c(C)c1Cl)C(=O)Nc2cccc(F)c2)Cl
- Standard InChI
- InChI=1S/C14H11Cl2FN2O/c1-7-11(13(16)18-8(2)12(7)15)14(20)19-10-5-3-4-9(17)6-10/h3-6H,1-2H3,(H,19,20)
- Stored Murcko scaffold
- n1cccc(c1)[CH]Nc2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.155 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.776
- 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 · 24811459