Molecule card · MolClass #51526
14739281
14739281: 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
- 14739281Mitochondrial Fusion · compound_name
- MolClass ID
- 51526
- InChIKey
- SFCWMDJUPBJKLG-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Oc2c1ccccc1c(cc2Cl)Cl)N3CCCCC3
- Standard InChI
- InChI=1S/C16H15Cl2NO2/c17-13-10-14(18)15(12-7-3-2-6-11(12)13)21-16(20)19-8-4-1-5-9-19/h2-3,6-7,10H,1,4-5,8-9H2
- Stored Murcko scaffold
- O([CH]N1CCCCC1)c2cccc3ccccc23
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.202 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.963
- 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 · 14739281