Molecule card · MolClass #50487
17511670
17511670: 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
- 17511670Mitochondrial Fusion · compound_name
- MolClass ID
- 50487
- InChIKey
- ISVBYKIJCLSXCY-MPKYGIEOSA-N
- Canonical SMILES
- OC(=Cc2nc3ccccc3(nc2(C=C(O)c1ccccc1)))c4ccccc4
- Standard InChI
- InChI=1S/C24H18N2O2/c27-23(17-9-3-1-4-10-17)15-21-22(16-24(28)18-11-5-2-6-12-18)26-20-14-8-7-13-19(20)25-21/h1-16,27-28H/b23-15-,24-16-
- Stored Murcko scaffold
- n1c2ccccc2nc(C=Cc3ccccc3)c1C=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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.413 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.402
- 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 · 17511670