Molecule card · MolClass #40949
24803025
24803025: 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
- 24803025Mitochondrial Fusion · compound_name
- MolClass ID
- 40949
- InChIKey
- FZUOYLAUTIBBKG-XKZIYDEJSA-N
- Canonical SMILES
- CC(=NNC(=O)CC2N=C(Cc1ccccc1)NNC2(=O))c3cccnc3
- Standard InChI
- InChI=1S/C19H20N6O2/c1-13(15-8-5-9-20-12-15)22-24-18(26)11-16-19(27)25-23-17(21-16)10-14-6-3-2-4-7-14/h2-9,12,16H,10-11H2,1H3,(H,21,23)(H,24,26)(H,25,27)/b22-13-
- Stored Murcko scaffold
- n1cccc(c1)C=NN[CH]CC2N=C(NN[CH]2)Cc3ccccc3
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.402 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.104
- 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 · 24803025