Molecule card · MolClass #37097
24708135
24708135: 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
- 24708135Mitochondrial Fusion · compound_name
- MolClass ID
- 37097
- InChIKey
- IZKTVILWXUJLJB-UHFFFAOYSA-N
- Canonical SMILES
- Oc1nc4ccccc4(cc1c2nnn(n2)c3ccc(F)cc3)
- Standard InChI
- InChI=1S/C16H10FN5O/c17-11-5-7-12(8-6-11)22-20-15(19-21-22)13-9-10-3-1-2-4-14(10)18-16(13)23/h1-9H,(H,18,23)
- Stored Murcko scaffold
- n1nn(nc1-c2cnc3ccccc3c2)-c4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.283 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.43
- 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 · 24708135