Molecule card · MolClass #41481
24809224
24809224: 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
- 24809224Mitochondrial Fusion · compound_name
- MolClass ID
- 41481
- InChIKey
- JDFYKIXWHRGGGL-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccncc1)N2N=C(CC2(O)C(F)(F)F)C3CCCCC3
- Standard InChI
- InChI=1S/C16H18F3N3O2/c17-16(18,19)15(24)10-13(11-4-2-1-3-5-11)21-22(15)14(23)12-6-8-20-9-7-12/h6-9,11,24H,1-5,10H2
- Stored Murcko scaffold
- n1ccc(cc1)[CH]N2N=C(CC2)C3CCCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.329 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.949
- 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 · 24809224