Molecule card · MolClass #45788
7966660
7966660: 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
- 7966660Mitochondrial Fusion · compound_name
- MolClass ID
- 45788
- InChIKey
- MRLNLYJELGMQKU-UHFFFAOYSA-N
- Canonical SMILES
- Fc1ccc(cc1)C3CC(c2ccco2)n4ncnc4(N3)
- Standard InChI
- InChI=1S/C15H13FN4O/c16-11-5-3-10(4-6-11)12-8-13(14-2-1-7-21-14)20-15(19-12)17-9-18-20/h1-7,9,12-13H,8H2,(H,17,18,19)
- Stored Murcko scaffold
- n1cnn2c1NC(c3ccccc3)CC2c4occc4
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.
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
- 55.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 284.289 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.574
- 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 · 7966660