Molecule card · MolClass #38334
24809455
24809455: 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
- 24809455Mitochondrial Fusion · compound_name
- MolClass ID
- 38334
- InChIKey
- TZAYJUOYUXAKGJ-UHFFFAOYSA-N
- Canonical SMILES
- CC14(CN3CC(C)(CN(C1)C3(c2ccc(F)cc2))C4)
- Standard InChI
- InChI=1S/C16H21FN2/c1-15-7-16(2)10-18(8-15)14(19(9-15)11-16)12-3-5-13(17)6-4-12/h3-6,14H,7-11H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)C2N3CC4CN2CC(C3)C4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 6.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.35 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.009
- 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 · 24809455