Molecule card · MolClass #51128
17407089
17407089: 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
- 17407089Mitochondrial Fusion · compound_name
- MolClass ID
- 51128
- InChIKey
- OJCOCTZYGNZWLX-WPWMEQJKSA-N
- Canonical SMILES
- COc1ccc(cc1)C(=O)Nc4ccccc4(C(=O)NN=Cc3cccc2ccccc23)
- Standard InChI
- InChI=1S/C26H21N3O3/c1-32-21-15-13-19(14-16-21)25(30)28-24-12-5-4-11-23(24)26(31)29-27-17-20-9-6-8-18-7-2-3-10-22(18)20/h2-17H,1H3,(H,28,30)(H,29,31)/b27-17+
- Stored Murcko scaffold
- N(=Cc1cccc2ccccc12)N[CH]c3ccccc3N[CH]c4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 423.464 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.575
- 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 · 17407089