Molecule card · MolClass #49147
24821254
24821254: 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
- 24821254Mitochondrial Fusion · compound_name
- MolClass ID
- 49147
- InChIKey
- YWNRWMMCQVWQKG-UHFFFAOYSA-N
- Canonical SMILES
- NC(=NO)c1ccccc1N2CCC(CC2)Cc3ccccc3
- Standard InChI
- InChI=1S/C19H23N3O/c20-19(21-23)17-8-4-5-9-18(17)22-12-10-16(11-13-22)14-15-6-2-1-3-7-15/h1-9,16,23H,10-14H2,(H2,20,21)
- Stored Murcko scaffold
- c1ccc(cc1)N2CCC(Cc3ccccc3)CC2
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
- 2
- 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
- 61.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.615
- 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 · 24821254