Molecule card · MolClass #52359
861371
861371: 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
- 861371Mitochondrial Fusion · compound_name
- MolClass ID
- 52359
- InChIKey
- OOXVVQWCARXVNF-UHFFFAOYSA-N
- Canonical SMILES
- c1cc(ccn1)c2nnc(o2)SCc3ccc(cc3Cl)Cl
- Standard InChI
- InChI=1S/C14H9Cl2N3OS/c15-11-2-1-10(12(16)7-11)8-21-14-19-18-13(20-14)9-3-5-17-6-4-9/h1-7H,8H2
- Stored Murcko scaffold
- n1nc(oc1SCc2ccccc2)-c3ccncc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 338.213 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.081
- 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 · 861371