Molecule card · MolClass #50189
22405354
22405354: 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
- 22405354Mitochondrial Fusion · compound_name
- MolClass ID
- 50189
- InChIKey
- YUFJMFXVUUMVCA-GFULKKFKSA-N
- Canonical SMILES
- O=C(C=Cc1ccco1)Nc3cccc(NC(=O)C=Cc2ccco2)n3
- Standard InChI
- InChI=1S/C19H15N3O4/c23-18(10-8-14-4-2-12-25-14)21-16-6-1-7-17(20-16)22-19(24)11-9-15-5-3-13-26-15/h1-13H,(H2,20,21,22,23,24)/b10-8+,11-9+
- Stored Murcko scaffold
- n1c(cccc1N[CH]C=Cc2occc2)N[CH]C=Cc3occc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.341 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.112
- 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 · 22405354