Molecule card · MolClass #42680
17510260
17510260: 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
- 17510260Mitochondrial Fusion · compound_name
- MolClass ID
- 42680
- InChIKey
- STEVGAKWFUYITK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)OC2OC(=O)C(=C2N3CCOCC3)Cl
- Standard InChI
- InChI=1S/C16H16ClNO5/c1-10-2-4-11(5-3-10)14(19)22-16-13(12(17)15(20)23-16)18-6-8-21-9-7-18/h2-5,16H,6-9H2,1H3
- Stored Murcko scaffold
- O1[CH]C=C(N2CCOCC2)C1O[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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.755 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.231
- 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 · 17510260