Molecule card · MolClass #45465
24818243
24818243: 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
- 24818243Mitochondrial Fusion · compound_name
- MolClass ID
- 45465
- InChIKey
- COOWCKMCVIJLLJ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C(=O)NC2=CC=3C(=O)CCCC=3(OC2(=O))
- Standard InChI
- InChI=1S/C17H15NO5/c1-22-11-7-5-10(6-8-11)16(20)18-13-9-12-14(19)3-2-4-15(12)23-17(13)21/h5-9H,2-4H2,1H3,(H,18,20)
- Stored Murcko scaffold
- O1[CH]C(=CC=2[CH]CCCC12)N[CH]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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.897
- 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 · 24818243