Molecule card · MolClass #50484
17511692
17511692: 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
- 17511692Mitochondrial Fusion · compound_name
- MolClass ID
- 50484
- InChIKey
- DQBPPHRWHSJYNI-FOCLMDBBSA-N
- Canonical SMILES
- COc4ccccc4(Cn3c(C=Cc1ccccc1)nc2ccccc23)
- Standard InChI
- InChI=1S/C23H20N2O/c1-26-22-14-8-5-11-19(22)17-25-21-13-7-6-12-20(21)24-23(25)16-15-18-9-3-2-4-10-18/h2-16H,17H2,1H3/b16-15+
- Stored Murcko scaffold
- n1c2ccccc2n(c1C=Cc3ccccc3)Cc4ccccc4
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.
- 17513853#50396
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 27.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.419 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.471
- 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 · 17511692