Molecule card · MolClass #51104
17409201
17409201: 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
- 17409201Mitochondrial Fusion · compound_name
- MolClass ID
- 51104
- InChIKey
- DMOIIYVOFOESDM-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C2=Nc4cccc3cccc(N2)c34
- Standard InChI
- InChI=1S/C18H14N2O/c1-21-14-10-8-13(9-11-14)18-19-15-6-2-4-12-5-3-7-16(20-18)17(12)15/h2-11H,1H3,(H,19,20)
- Stored Murcko scaffold
- N=1c2cccc3cccc(NC1c4ccccc4)c23
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 33.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.317 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.451
- 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 · 17409201