Molecule card · MolClass #37765
22412519
22412519: 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
- 22412519Mitochondrial Fusion · compound_name
- MolClass ID
- 37765
- InChIKey
- AGHSEVIEGLASEL-UHFFFAOYSA-N
- Canonical SMILES
- CC=3C(=O)OC=4C=C(c1ccccc1)N(c2ccccc2)C(=O)C=4(C=3(O))
- Standard InChI
- InChI=1S/C21H15NO4/c1-13-19(23)18-17(26-21(13)25)12-16(14-8-4-2-5-9-14)22(20(18)24)15-10-6-3-7-11-15/h2-12,23H,1H3
- Stored Murcko scaffold
- O1[CH]C=CC=2[CH]N(c3ccccc3)C(=CC12)c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.643
- 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 · 22412519