Molecule card · MolClass #15101
1274356
1274356: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7977462Mitochondrial Fusion · compound_name
- MolClass ID
- 15101
- InChIKey
- GIXNHJLKTRCKLW-UHFFFAOYSA-N
- Canonical SMILES
- On3c4CCc1nonc1c4(nc3(c2ccco2))
- Standard InChI
- InChI=1S/C11H8N4O3/c16-15-7-4-3-6-9(14-18-13-6)10(7)12-11(15)8-2-1-5-17-8/h1-2,5,16H,3-4H2
- Stored Murcko scaffold
- n1onc2c1-c3nc([nH]c3CC2)-c4occc4
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.207 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.111
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1274356
Mitochondrial Fusion
Dataset #19 · 7977462