Molecule card · MolClass #43596
17411017
17411017: 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
- 17411017Mitochondrial Fusion · compound_name
- MolClass ID
- 43596
- InChIKey
- OCKPZRVJYVPZSC-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c1cc2C(=O)N(CCn2(n1))Cc3ccccc3Cl
- Standard InChI
- InChI=1S/C15H14ClN3O3/c1-22-15(21)12-8-13-14(20)18(6-7-19(13)17-12)9-10-4-2-3-5-11(10)16/h2-5,8H,6-7,9H2,1H3
- Stored Murcko scaffold
- n1ccc2[CH]N(Cc3ccccc3)CCn12
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.
- 24821124#45246
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 64.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.743 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.47
- 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 · 17411017