Molecule card · MolClass #38147
17409613
17409613: 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
- 17409613Mitochondrial Fusion · compound_name
- MolClass ID
- 38147
- InChIKey
- AUCCOQYIZAFNKU-UHFFFAOYSA-N
- Canonical SMILES
- OC=2C=CN(C(=O)C=2(Cc1ccc(F)cc1))C3CCCCC3
- Standard InChI
- InChI=1S/C18H20FNO2/c19-14-8-6-13(7-9-14)12-16-17(21)10-11-20(18(16)22)15-4-2-1-3-5-15/h6-11,15,21H,1-5,12H2
- Stored Murcko scaffold
- c1ccc(cc1)CC2=CC=CN([CH]2)C3CCCCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.356 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.647
- 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 · 17409613