Molecule card · MolClass #51571
14736159
14736159: 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
- 14736159Mitochondrial Fusion · compound_name
- MolClass ID
- 51571
- InChIKey
- NBYSMABLVSMRAW-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)c2noc(n2)c4ccccc4(c3ccccc3)
- Standard InChI
- InChI=1S/C20H14N2O/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)20-21-19(22-23-20)16-11-5-2-6-12-16/h1-14H
- Stored Murcko scaffold
- n1oc(nc1-c2ccccc2)-c3ccccc3-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.
- 1307393#10514
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.339 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.044
- 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 · 14736159