Molecule card · MolClass #45421
24782047
24782047: 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
- 24782047Mitochondrial Fusion · compound_name
- MolClass ID
- 45421
- InChIKey
- NYNDCSOGQBQPSD-UHFFFAOYSA-N
- Canonical SMILES
- CN(CC1COCCO1)Cc3nc(Cc2cccc(F)c2)no3
- Standard InChI
- InChI=1S/C16H20FN3O3/c1-20(9-14-11-21-5-6-22-14)10-16-18-15(19-23-16)8-12-3-2-4-13(17)7-12/h2-4,7,14H,5-6,8-11H2,1H3
- Stored Murcko scaffold
- n1oc(nc1Cc2ccccc2)CNCC3OCCOC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.347 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.335
- 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 · 24782047