Molecule card · MolClass #47327
17510105
17510105: 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
- 17510105Mitochondrial Fusion · compound_name
- MolClass ID
- 47327
- InChIKey
- CAPVTNLDQIEZNT-YFZWXOIXSA-N
- Canonical SMILES
- O=C3OC(C=Cc1ccc(cc1Cl)Cl)=NC3(=Cc2cccs2)
- Standard InChI
- InChI=1S/C16H9Cl2NO2S/c17-11-5-3-10(13(18)8-11)4-6-15-19-14(16(20)21-15)9-12-2-1-7-22-12/h1-9H/b6-4+,14-9-
- Stored Murcko scaffold
- N1=C(O[CH]C1=Cc2sccc2)C=Cc3ccccc3
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
- 3
- 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
- 66.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.221 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.356
- 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 · 17510105