Molecule card · MolClass #41534
24818096
24818096: 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
- 24818096Mitochondrial Fusion · compound_name
- MolClass ID
- 41534
- InChIKey
- PHGRVHOQJMSBFV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nn(c(O)c1(CCO))c2nc(O)cc(n2)c3ccccc3(F)
- Standard InChI
- InChI=1S/C16H15FN4O3/c1-9-10(6-7-22)15(24)21(20-9)16-18-13(8-14(23)19-16)11-4-2-3-5-12(11)17/h2-5,8,22,24H,6-7H2,1H3,(H,18,19,23)
- Stored Murcko scaffold
- n1ccc(nc1-n2nccc2)-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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 104.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.679
- 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 · 24818096