Molecule card · MolClass #36274
22414740
22414740: 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
- 22414740Mitochondrial Fusion · compound_name
- MolClass ID
- 36274
- InChIKey
- FVYVEGMVJBBCAY-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)Oc2cc(ncn2)n3cncn3
- Standard InChI
- InChI=1S/C12H9N5O/c1-2-4-10(5-3-1)18-12-6-11(14-8-15-12)17-9-13-7-16-17/h1-9H
- Stored Murcko scaffold
- n1cnn(c1)-c2ncnc(Oc3ccccc3)c2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 239.233 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.95
- 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 · 22414740