Molecule card · MolClass #37005
7968523
7968523: 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
- 7968523Mitochondrial Fusion · compound_name
- MolClass ID
- 37005
- InChIKey
- GFEKLBDHBMNXSW-UHFFFAOYSA-N
- Canonical SMILES
- N#CC=2C(CC(=O)N3CN(Cc1ccccc1)CSC=23)c4ccccc4(F)
- Standard InChI
- InChI=1S/C21H18FN3OS/c22-19-9-5-4-8-16(19)17-10-20(26)25-13-24(12-15-6-2-1-3-7-15)14-27-21(25)18(17)11-23/h1-9,17H,10,12-14H2
- Stored Murcko scaffold
- S1C2=CC(c3ccccc3)C[CH]N2CN(C1)Cc4ccccc4
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
- 4
- 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
- 72.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 379.452 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.886
- 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 · 7968523