Molecule card · MolClass #49385
24808311
24808311: 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
- 24808311Mitochondrial Fusion · compound_name
- MolClass ID
- 49385
- InChIKey
- ZSAQYCPABZZALP-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(nc(c1ccccc1)c2(C))c3ccccc3
- Standard InChI
- InChI=1S/C19H17N/c1-14-13-18(16-9-5-3-6-10-16)20-19(15(14)2)17-11-7-4-8-12-17/h3-13H,1-2H3
- Stored Murcko scaffold
- n1c(cccc1-c2ccccc2)-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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 12.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.346 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.491
- 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 · 24808311