Molecule card · MolClass #52554
17434097
17434097: 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
- 17434097Mitochondrial Fusion · compound_name
- MolClass ID
- 52554
- InChIKey
- BQEXBMSDFZHJSN-UHFFFAOYSA-N
- Canonical SMILES
- FC(F)Oc2ccccc2(NC(Nc1ccc(F)c(c1)Cl)=S)
- Standard InChI
- InChI=1S/C14H10ClF3N2OS/c15-9-7-8(5-6-10(9)16)19-14(22)20-11-3-1-2-4-12(11)21-13(17)18/h1-7,13H,(H2,19,20,22)
- Stored Murcko scaffold
- c1ccc(cc1)N[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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- 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
- 346.757 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.669
- 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 · 17434097