Molecule card · MolClass #46221
4264723
4264723: 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
- 4264723Mitochondrial Fusion · compound_name
- MolClass ID
- 46221
- InChIKey
- YGLQDMONWCTOMG-UHFFFAOYSA-N
- Canonical SMILES
- O=C2c3cccnc3(C(=O)N2(Cc1ccco1))
- Standard InChI
- InChI=1S/C12H8N2O3/c15-11-9-4-1-5-13-10(9)12(16)14(11)7-8-3-2-6-17-8/h1-6H,7H2
- Stored Murcko scaffold
- n1cccc2cn(cc12)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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 228.204 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.378
- 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 · 4264723