Molecule card · MolClass #49502
24796667
24796667: 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
- 24796667Mitochondrial Fusion · compound_name
- MolClass ID
- 49502
- InChIKey
- DKAXCXMOXXOTKQ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)Oc3ccccc3(NC(NC2CCCC2)=S)
- Standard InChI
- InChI=1S/C18H20N2OS/c22-18(19-14-8-4-5-9-14)20-16-12-6-7-13-17(16)21-15-10-2-1-3-11-15/h1-3,6-7,10-14H,4-5,8-9H2,(H2,19,20,22)
- Stored Murcko scaffold
- O(c1ccccc1)c2ccccc2N[CH]NC3CCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.431 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.431
- 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 · 24796667