Molecule card · MolClass #37726
859840
859840: 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
- 859840Mitochondrial Fusion · compound_name
- MolClass ID
- 37726
- InChIKey
- FGYIGBHAOHHCHP-UHFFFAOYSA-N
- Canonical SMILES
- O=C5NC2c1ccccc1C(=O)N2c4c5(cnn4(c3ccccc3))
- Standard InChI
- InChI=1S/C18H12N4O2/c23-16-14-10-19-22(11-6-2-1-3-7-11)17(14)21-15(20-16)12-8-4-5-9-13(12)18(21)24/h1-10,15H,(H,20,23)
- Stored Murcko scaffold
- n1cc2[CH]NC3c4ccccc4[CH]N3c2n1-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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.087
- 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 · 859840