Molecule card · MolClass #43773
24817801
24817801: 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
- 24817801Mitochondrial Fusion · compound_name
- MolClass ID
- 43773
- InChIKey
- IRMARSGHUWGXFG-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc2cnn3cc(CCN1CCOCC1)c(nc23)c4ccc(F)cc4
- Standard InChI
- InChI=1S/C19H18FN5O/c20-17-3-1-14(2-4-17)18-15(5-6-24-7-9-26-10-8-24)13-25-19(23-18)16(11-21)12-22-25/h1-4,12-13H,5-10H2
- Stored Murcko scaffold
- n1ccc2nc(-c3ccccc3)c(cn12)CCN4CCOCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.378 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.879
- 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 · 24817801