Molecule card · MolClass #39954
859648
859648: 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
- 859648Mitochondrial Fusion · compound_name
- MolClass ID
- 39954
- InChIKey
- HPBZURXTTWCVKJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2c(C#N)c1ncnc(N)c1n2c3ccccc3
- Standard InChI
- InChI=1S/C14H11N5/c1-9-11(7-15)12-13(14(16)18-8-17-12)19(9)10-5-3-2-4-6-10/h2-6,8H,1H3,(H2,16,17,18)
- Stored Murcko scaffold
- n1cnc2ccn(-c3ccccc3)c2c1
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
- 4
- 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
- 80.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.271 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.629
- 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 · 859648