Molecule card · MolClass #50550
17509318
17509318: 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
- 17509318Mitochondrial Fusion · compound_name
- MolClass ID
- 50550
- InChIKey
- RZZMLQUIUHVURI-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(nc1)c5nc2ccc(cn2c5(Nc3ccc4OCOc4(c3)))Cl
- Standard InChI
- InChI=1S/C19H13ClN4O2/c20-12-4-7-17-23-18(14-3-1-2-8-21-14)19(24(17)10-12)22-13-5-6-15-16(9-13)26-11-25-15/h1-10,22H,11H2
- Stored Murcko scaffold
- n1ccccc1-c2nc3ccccn3c2Nc4ccc5OCOc5c4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.786 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.489
- 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 · 17509318