Molecule card · MolClass #41188
22405064
22405064: 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
- 22405064Mitochondrial Fusion · compound_name
- MolClass ID
- 41188
- InChIKey
- OZEPKGBSALEXRT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(cn2c3ccccc3(nc12))c4ccccc4
- Standard InChI
- InChI=1S/C17H13N3/c1-12-17-19-14-9-5-6-10-16(14)20(17)11-15(18-12)13-7-3-2-4-8-13/h2-11H,1H3
- Stored Murcko scaffold
- n1cc2nc3ccccc3n2cc1-c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.306 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.38
- 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 · 22405064