Molecule card · MolClass #51082
17410074
17410074: 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
- 17410074Mitochondrial Fusion · compound_name
- MolClass ID
- 51082
- InChIKey
- QGNOPHAJQCWQFJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccc(cc1Cl)Cl)c3cnc(c2ccccc2)s3
- Standard InChI
- InChI=1S/C16H9Cl2NOS/c17-11-6-7-12(13(18)8-11)15(20)14-9-19-16(21-14)10-4-2-1-3-5-10/h1-9H
- 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.
- 17410073#51067
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
- 334.221 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.59
- 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 · 17410074