Molecule card · MolClass #50480
17511260
17511260: 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
- 17511260Mitochondrial Fusion · compound_name
- MolClass ID
- 50480
- InChIKey
- SNNMVOFTYZSZJF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)N=Nc2ccc(O)c3ncccc23
- Standard InChI
- InChI=1S/C16H13N3O/c1-11-4-2-5-12(10-11)18-19-14-7-8-15(20)16-13(14)6-3-9-17-16/h2-10,20H,1H3
- Stored Murcko scaffold
- N(=Nc1cccc2ncccc12)c3ccccc3
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
- 4
- 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
- 57.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.274
- 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 · 17511260