Molecule card · MolClass #42136
24707915
24707915: 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
- 24707915Mitochondrial Fusion · compound_name
- MolClass ID
- 42136
- InChIKey
- NGSVAPVLMCRHLB-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)n2nnc(n2)c3cccnc3
- Standard InChI
- InChI=1S/C12H9N5/c1-2-6-11(7-3-1)17-15-12(14-16-17)10-5-4-8-13-9-10/h1-9H
- Stored Murcko scaffold
- n1nn(nc1-c2cnccc2)-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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 223.234 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.592
- 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 · 24707915