Molecule card · MolClass #50830
17431679
17431679: 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
- 17431679Mitochondrial Fusion · compound_name
- MolClass ID
- 50830
- InChIKey
- UEYVGLOXNLBJLK-UHFFFAOYSA-N
- Canonical SMILES
- COc2c(ccc1ccccc12)C(=O)Nc3ccc(cc3)Cc4ccncc4
- Standard InChI
- InChI=1S/C24H20N2O2/c1-28-23-21-5-3-2-4-19(21)8-11-22(23)24(27)26-20-9-6-17(7-10-20)16-18-12-14-25-15-13-18/h2-15H,16H2,1H3,(H,26,27)
- Stored Murcko scaffold
- n1ccc(cc1)Cc2ccc(cc2)N[CH]c3ccc4ccccc4c3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.429 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.888
- 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 · 17431679