Molecule card · MolClass #50671
17505092
17505092: 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
- 17505092Mitochondrial Fusion · compound_name
- MolClass ID
- 50671
- InChIKey
- ZWSBBYODLRMEQN-UHFFFAOYSA-N
- Canonical SMILES
- Oc1cc5ccccc5(cc1C(=O)N=Nc4c2ccccc2n(Cc3ccccc3)c4(O))
- Standard InChI
- InChI=1S/C26H19N3O3/c30-23-15-19-11-5-4-10-18(19)14-21(23)25(31)28-27-24-20-12-6-7-13-22(20)29(26(24)32)16-17-8-2-1-3-9-17/h1-15,30,32H,16H2
- Stored Murcko scaffold
- N(=Nc1cn(c2ccccc12)Cc3ccccc3)[CH]c4ccc5ccccc5c4
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 421.448 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.57
- 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 · 17505092