Molecule card · MolClass #38007
22411598
22411598: 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
- 22411598Mitochondrial Fusion · compound_name
- MolClass ID
- 38007
- InChIKey
- HZLGYZVGKCVXBM-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccc5OC(=O)c3cnn(CC(=O)Nc1cc(no1)c2cccc(F)c2)c3c5(c4)
- Standard InChI
- InChI=1S/C22H15FN4O4/c1-12-5-6-18-15(7-12)21-16(22(29)30-18)10-24-27(21)11-19(28)25-20-9-17(26-31-20)13-3-2-4-14(23)8-13/h2-10H,11H2,1H3,(H,25,28)
- Stored Murcko scaffold
- n1oc(cc1-c2ccccc2)N[CH]Cn3ncc4[CH]Oc5ccccc5-c43
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 418.378 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.515
- 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 · 22411598