Molecule card · MolClass #42928
3714668
3714668: 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
- 3714668Mitochondrial Fusion · compound_name
- MolClass ID
- 42928
- InChIKey
- QPZFOPHCYYAYTC-UHFFFAOYSA-N
- Canonical SMILES
- Fc1ccc(cc1)c2ccc(o2)c4nn3c(nnc3s4)c5ccco5
- Standard InChI
- InChI=1S/C17H9FN4O2S/c18-11-5-3-10(4-6-11)12-7-8-14(24-12)16-21-22-15(13-2-1-9-23-13)19-20-17(22)25-16/h1-9H
- Stored Murcko scaffold
- n1nc(-c2occc2)n3nc(sc13)-c4oc(cc4)-c5ccccc5
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.582
- 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 · 3714668