Molecule card · MolClass #37560
22411970
22411970: 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
- 22411970Mitochondrial Fusion · compound_name
- MolClass ID
- 37560
- InChIKey
- DBEFATOFCJQNHX-UHFFFAOYSA-N
- Canonical SMILES
- OC3=CC(=O)C=4C(=O)N(c1ccccc1)C=2CCCCCC=2C=4(O3)
- Standard InChI
- InChI=1S/C19H17NO4/c21-15-11-16(22)24-18-13-9-5-2-6-10-14(13)20(19(23)17(15)18)12-7-3-1-4-8-12/h1,3-4,7-8,11,22H,2,5-6,9-10H2
- Stored Murcko scaffold
- O1C=C[CH]C=2[CH]N(c3ccccc3)C4=C(C12)CCCCC4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.343 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.944
- 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 · 22411970