Molecule card · MolClass #35626
7969425
7969425: 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
- 7969425Mitochondrial Fusion · compound_name
- MolClass ID
- 35626
- InChIKey
- FEDGGMFZXHXBQS-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)Cn3ncc2CCc1occc1c23
- Standard InChI
- InChI=1S/C11H10N2O3/c14-10(15)6-13-11-7(5-12-13)1-2-9-8(11)3-4-16-9/h3-5H,1-2,6H2,(H,14,15)
- Stored Murcko scaffold
- n1cc2c([nH]1)-c3ccoc3CC2
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 218.209 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.839
- 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 · 7969425