Molecule card · MolClass #49214
24818375
24818375: 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
- 24818375Mitochondrial Fusion · compound_name
- MolClass ID
- 49214
- InChIKey
- IXTIONINVUBJLO-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2cnc(nc2(c1ccccc1))c3ccccc3
- Standard InChI
- InChI=1S/C19H16N2O2/c1-2-23-19(22)16-13-20-18(15-11-7-4-8-12-15)21-17(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3
- Stored Murcko scaffold
- n1ccc(nc1-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.
- 14736219#33236
- 17411795#51026
- Cc1ccc(O)c(c1)c1cc(nc(n1)c1ccccc1)C(F)(F)C(F)F#151380
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.343 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.146
- 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 · 24818375