Molecule card · MolClass #36696
24814634
24814634: 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
- 24814634Mitochondrial Fusion · compound_name
- MolClass ID
- 36696
- InChIKey
- PICFYQORZVJAOV-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(NC(=O)Cn1cc(cn1)[N+](=O)[O-])n(Cc2ccc(F)cc2)n3
- Standard InChI
- InChI=1S/C16H15FN6O3/c1-11-6-15(22(20-11)8-12-2-4-13(17)5-3-12)19-16(24)10-21-9-14(7-18-21)23(25)26/h2-7,9H,8,10H2,1H3,(H,19,24)
- Stored Murcko scaffold
- n1cccn1C[CH]Nc2ccnn2Cc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.328 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.671
- 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 · 24814634