Molecule card · MolClass #52291
864773
864773: 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
- 864773Mitochondrial Fusion · compound_name
- MolClass ID
- 52291
- InChIKey
- FRBYEGJZPFGBKQ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)c4nc(NCc2cccnc2)c5oc3ccccc3c5(n4)
- Standard InChI
- InChI=1S/C22H16N4O/c1-2-8-16(9-3-1)21-25-19-17-10-4-5-11-18(17)27-20(19)22(26-21)24-14-15-7-6-12-23-13-15/h1-13H,14H2,(H,24,25,26)
- Stored Murcko scaffold
- n1cccc(c1)CNc2nc(nc3c2oc4ccccc43)-c5ccccc5
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.078
- 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 · 864773