Molecule card · MolClass #38047
17433506
17433506: 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
- 17433506Mitochondrial Fusion · compound_name
- MolClass ID
- 38047
- InChIKey
- IGMOUVMIKURCBR-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c3cc(CC)sc3(NC(=O)C2CC(=O)NN2(Cc1ccccc1))
- Standard InChI
- InChI=1S/C20H23N3O4S/c1-3-14-10-15(20(26)27-4-2)19(28-14)21-18(25)16-11-17(24)22-23(16)12-13-8-6-5-7-9-13/h5-10,16H,3-4,11-12H2,1-2H3,(H,21,25)(H,22,24)
- Stored Murcko scaffold
- s1cccc1N[CH]C2N(N[CH]C2)Cc3ccccc3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 401.481 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.33
- 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 · 17433506