Molecule card · MolClass #39131
7972271
7972271: 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
- 7972271Mitochondrial Fusion · compound_name
- MolClass ID
- 39131
- InChIKey
- XFCLFMIGIKTGFN-UHFFFAOYSA-N
- Canonical SMILES
- O=C4Oc1ccccc1c3c4(ncn3(c2ccccc2))
- Standard InChI
- InChI=1S/C16H10N2O2/c19-16-14-15(12-8-4-5-9-13(12)20-16)18(10-17-14)11-6-2-1-3-7-11/h1-10H
- Stored Murcko scaffold
- n1cn(-c2ccccc2)c-3c1[CH]Oc4ccccc43
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.
- 1486835#16039
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.263 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.492
- 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 · 7972271