Molecule card · MolClass #45019
24800575
24800575: 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
- 24800575Mitochondrial Fusion · compound_name
- MolClass ID
- 45019
- InChIKey
- UZKIKGTVAOTVIO-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CC2C(=O)NCCN2(CC1CCCCC1))NCc3cccc(F)c3(F)
- Standard InChI
- InChI=1S/C20H27F2N3O2/c21-16-8-4-7-15(19(16)22)12-24-18(26)11-17-20(27)23-9-10-25(17)13-14-5-2-1-3-6-14/h4,7-8,14,17H,1-3,5-6,9-13H2,(H,23,27)(H,24,26)
- Stored Murcko scaffold
- c1ccc(cc1)CN[CH]CC2[CH]NCCN2CC3CCCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 379.445 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.935
- 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 · 24800575