Molecule card · MolClass #37057
17409312
17409312: 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
- 17409312Mitochondrial Fusion · compound_name
- MolClass ID
- 37057
- InChIKey
- QJINFBPETJMVBD-UHFFFAOYSA-N
- Canonical SMILES
- Oc2nc1ccccc1n3c(nnc23)c4ccncc4
- Standard InChI
- InChI=1S/C14H9N5O/c20-14-13-18-17-12(9-5-7-15-8-6-9)19(13)11-4-2-1-3-10(11)16-14/h1-8H,(H,16,20)
- Stored Murcko scaffold
- n1nc(-c2ccncc2)n3c1cnc4ccccc43
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
- 5
- 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
- 76.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.255 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.987
- 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 · 17409312