Molecule card · MolClass #52570
22412266
22412266: 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
- 22412266Mitochondrial Fusion · compound_name
- MolClass ID
- 52570
- InChIKey
- WOPHUIDOSWTDBE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1Cl)NC(Nc2ccc(OC(F)F)c(c2)Cl)=S
- Standard InChI
- InChI=1S/C15H12Cl2F2N2OS/c1-8-2-3-9(6-11(8)16)20-15(23)21-10-4-5-13(12(17)7-10)22-14(18)19/h2-7,14H,1H3,(H2,20,21,23)
- 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
- 377.238 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.356
- 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 · 22412266