Molecule card · MolClass #51062
17409895
17409895: 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
- 17409895Mitochondrial Fusion · compound_name
- MolClass ID
- 51062
- InChIKey
- ZHFZNSQNUXYTGP-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc(NC(=O)c1ccccc1)sc2c4csc(Nc3cccc(F)c3)n4
- Standard InChI
- InChI=1S/C20H15FN4OS2/c1-12-17(28-20(22-12)25-18(26)13-6-3-2-4-7-13)16-11-27-19(24-16)23-15-9-5-8-14(21)10-15/h2-11H,1H3,(H,23,24)(H,22,25,26)
- Stored Murcko scaffold
- n1cc(sc1N[CH]c2ccccc2)-c3nc(sc3)Nc4ccccc4
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.
- 17407337#51117
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 123.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 410.491 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.949
- 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 · 17409895