Molecule card · MolClass #39675
24787667
24787667: 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
- 24787667Mitochondrial Fusion · compound_name
- MolClass ID
- 39675
- InChIKey
- ZLXZBUVQIXGYNK-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1cc(CC)sc1N2C(=O)CC(C2(=O))Sc3ncccc3(C(=O)O)
- Standard InChI
- InChI=1S/C19H18N2O6S2/c1-3-10-8-12(19(26)27-4-2)17(28-10)21-14(22)9-13(16(21)23)29-15-11(18(24)25)6-5-7-20-15/h5-8,13H,3-4,9H2,1-2H3,(H,24,25)
- Stored Murcko scaffold
- n1ccccc1SC2[CH]N([CH]C2)c3sccc3
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 167.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 434.489 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.001
- 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 · 24787667