Molecule card · MolClass #42424
24800779
24800779: 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
- 24800779Mitochondrial Fusion · compound_name
- MolClass ID
- 42424
- InChIKey
- MUWPUUPXXOBZTB-JSGCOSHPSA-N
- Canonical SMILES
- Cn3cc(CN2CC1CCC2(C1))c(n3)c4ccccc4(F)
- Standard InChI
- InChI=1S/C17H20FN3/c1-20-10-13(11-21-9-12-6-7-14(21)8-12)17(19-20)15-4-2-3-5-16(15)18/h2-5,10,12,14H,6-9,11H2,1H3/t12-,14-/m0/s1
- Stored Murcko scaffold
- n1[nH]cc(c1-c2ccccc2)CN3CC4CCC3C4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 21.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.245
- 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 · 24800779