Molecule card · MolClass #49801
24781162
24781162: 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
- 24781162Mitochondrial Fusion · compound_name
- MolClass ID
- 49801
- InChIKey
- JNLRENDMTQKEQK-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)N=NC2=c1ccccc1=C3Nc4nonc4(N=C23)
- Standard InChI
- InChI=1S/C14H10N6O3/c1-2-22-14(21)18-17-10-8-6-4-3-5-7(8)9-11(10)16-13-12(15-9)19-23-20-13/h3-6H,2H2,1H3,(H,15,19)
- Stored Murcko scaffold
- n1onc2NC=3C(=Nc12)C=c4ccccc43
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 114.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.268 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.627
- 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 · 24781162