Molecule card · MolClass #51109
17409270
17409270: 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
- 17409270Mitochondrial Fusion · compound_name
- MolClass ID
- 51109
- InChIKey
- HMOHMKQXIUEIPM-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C=3C(Cc1ccccc1C=3(NC(NC(=O)c2ccccc2)=S))C(C)C
- Standard InChI
- InChI=1S/C24H26N2O3S/c1-4-29-23(28)20-19(15(2)3)14-17-12-8-9-13-18(17)21(20)25-24(30)26-22(27)16-10-6-5-7-11-16/h5-13,15,19H,4,14H2,1-3H3,(H2,25,26,27,30)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N[CH]NC2=CCCc3ccccc23
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.
- 17509143#50564
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
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 422.542 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.479
- 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 · 17409270