Molecule card · MolClass #38660
24807453
24807453: 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
- 24807453Mitochondrial Fusion · compound_name
- MolClass ID
- 38660
- InChIKey
- SGWMVWXSVVGWKZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NNC=1CCCC=1(C(=O)C(F)(F)F))c2cccnc2
- Standard InChI
- InChI=1S/C13H12F3N3O2/c14-13(15,16)11(20)9-4-1-5-10(9)18-19-12(21)8-3-2-6-17-7-8/h2-3,6-7,18H,1,4-5H2,(H,19,21)
- Stored Murcko scaffold
- n1cccc(c1)[CH]NNC2=CCCC2
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.249 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.991
- 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 · 24807453