Molecule card · MolClass #39533
24818919
24818919: 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
- 24818919Mitochondrial Fusion · compound_name
- MolClass ID
- 39533
- InChIKey
- GPGRCMSLXSSBFS-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)Cc2c(nnn2(c1cccc(c1)C(F)(F)F))C(=O)O
- Standard InChI
- InChI=1S/C12H8F3N3O4/c13-12(14,15)6-2-1-3-7(4-6)18-8(5-9(19)20)10(11(21)22)16-17-18/h1-4H,5H2,(H,19,20)(H,21,22)
- Stored Murcko scaffold
- n1nn(cc1)-c2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.205 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.516
- 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 · 24818919