Molecule card · MolClass #51556
14736532
14736532: 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
- 14736532Mitochondrial Fusion · compound_name
- MolClass ID
- 51556
- InChIKey
- NWCOFZGRQWJPBX-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc4c(c1)ncn4(CCCOc2ccc3CCCc3(c2))
- Standard InChI
- InChI=1S/C19H20N2O/c1-2-8-19-18(7-1)20-14-21(19)11-4-12-22-17-10-9-15-5-3-6-16(15)13-17/h1-2,7-10,13-14H,3-6,11-12H2
- Stored Murcko scaffold
- n1cn(c2ccccc12)CCCOc3ccc4c(c3)CCC4
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
- 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
- 292.376 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.599
- 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 · 14736532