Molecule card · MolClass #51425
14743956
14743956: 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
- 14743956Mitochondrial Fusion · compound_name
- MolClass ID
- 51425
- InChIKey
- YJXVBAMNAUTWBU-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)Nc3nc2ccccc2c(n3)N4CCCCC4
- Standard InChI
- InChI=1S/C20H22N4O/c1-25-16-11-9-15(10-12-16)21-20-22-18-8-4-3-7-17(18)19(23-20)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,21,22,23)
- Stored Murcko scaffold
- n1c(nc(c2ccccc12)N3CCCCC3)Nc4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.86
- 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 · 14743956