Molecule card · MolClass #52333
862918
862918: 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
- 862918Mitochondrial Fusion · compound_name
- MolClass ID
- 52333
- InChIKey
- RZEYQOJPWQUGCR-UHFFFAOYSA-N
- Canonical SMILES
- CCN(Cc1cc2ccc(C)cc2(nc1(O)))C(=O)c3ccncc3
- Standard InChI
- InChI=1S/C19H19N3O2/c1-3-22(19(24)14-6-8-20-9-7-14)12-16-11-15-5-4-13(2)10-17(15)21-18(16)23/h4-11H,3,12H2,1-2H3,(H,21,23)
- Stored Murcko scaffold
- n1ccc([CH][N]Cc2cnc3ccccc3c2)cc1
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.312
- 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 · 862918