Molecule card · MolClass #47762
24828819
24828819: 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
- 24828819Mitochondrial Fusion · compound_name
- MolClass ID
- 47762
- InChIKey
- SLCKKVHNXCAZQY-VCHYOVAHSA-N
- Canonical SMILES
- CC2CCCC(C)N2(N=Cc1ccccc1(OC(F)F))
- Standard InChI
- InChI=1S/C15H20F2N2O/c1-11-6-5-7-12(2)19(11)18-10-13-8-3-4-9-14(13)20-15(16)17/h3-4,8-12,15H,5-7H2,1-2H3/b18-10+
- Stored Murcko scaffold
- N(=Cc1ccccc1)N2CCCCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 24.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.329 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.822
- 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 · 24828819