Molecule card · MolClass #48234
17511794
17511794: 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
- 17511794Mitochondrial Fusion · compound_name
- MolClass ID
- 48234
- InChIKey
- OYTRAIYXPUVZNX-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)c2cnn5c(n2)nc(c3ccccc3)c5(c4ccccc4)
- Standard InChI
- InChI=1S/C23H16N4/c1-4-10-17(11-5-1)20-16-24-27-22(19-14-8-3-9-15-19)21(26-23(27)25-20)18-12-6-2-7-13-18/h1-16H
- Stored Murcko scaffold
- n1cc(nc2nc(-c3ccccc3)c(-c4ccccc4)n12)-c5ccccc5
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.06
- 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 · 17511794