Molecule card · MolClass #42661
7971056
7971056: 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
- 7971056Mitochondrial Fusion · compound_name
- MolClass ID
- 42661
- InChIKey
- GBGKBFVAWIFLDF-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N(Cc1ccccc1)C(=O)C3=CN=C2N(CCS2)C3(=O)
- Standard InChI
- InChI=1S/C17H19N3O2S/c1-12(2)20(11-13-6-4-3-5-7-13)16(22)14-10-18-17-19(15(14)21)8-9-23-17/h3-7,10,12H,8-9,11H2,1-2H3
- Stored Murcko scaffold
- N=1C=C([CH][N]Cc2ccccc2)[CH]N3C1SCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.418 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.707
- 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 · 7971056