Molecule card · MolClass #41611
14730056
14730056: 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
- 14730056Mitochondrial Fusion · compound_name
- MolClass ID
- 41611
- InChIKey
- BJBXJUMCCZGGEJ-UHFFFAOYSA-N
- Canonical SMILES
- Oc1c(cnc2c(F)ccc(F)c12)c3ncc(cc3Cl)C(F)(F)F
- Standard InChI
- InChI=1S/C15H6ClF5N2O/c16-8-3-6(15(19,20)21)4-22-12(8)7-5-23-13-10(18)2-1-9(17)11(13)14(7)24/h1-5H,(H,23,24)
- Stored Murcko scaffold
- n1ccccc1-c2cnc3ccccc3c2
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.666 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.365
- 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 · 14730056