Molecule card · MolClass #15252
1911248
1911248: 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
- 14729439Mitochondrial Fusion · compound_name
- MolClass ID
- 15252
- InChIKey
- JEIMLAZQABXLEV-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc1cnn2c(ccnc12)c3ccccc3
- Standard InChI
- InChI=1S/C13H8N4/c14-8-11-9-16-17-12(6-7-15-13(11)17)10-4-2-1-3-5-10/h1-7,9H
- Stored Murcko scaffold
- n1ccc(-c2ccccc2)n3nccc13
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.23 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.066
- 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 · 1911248
Mitochondrial Fusion
Dataset #19 · 14729439