Molecule card · MolClass #51067
17410073
17410073: 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
- 17410073Mitochondrial Fusion · compound_name
- MolClass ID
- 51067
- InChIKey
- WDLMROXJUHCYDJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccc(cc1Cl)Cl)c3cnc(c2ccc(cc2)Cl)s3
- Standard InChI
- InChI=1S/C16H8Cl3NOS/c17-10-3-1-9(2-4-10)16-20-8-14(22-16)15(21)12-6-5-11(18)7-13(12)19/h1-8H
- Stored Murcko scaffold
- n1cc(sc1-c2ccccc2)[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.
- 17410074#51082
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
- 58.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.666 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.212
- 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 · 17410073