Molecule card · MolClass #50184
22404515
22404515: 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
- 22404515Mitochondrial Fusion · compound_name
- MolClass ID
- 50184
- InChIKey
- CKMFZIOFJKDCSS-VQHVLOKHSA-N
- Canonical SMILES
- O=C(C=Cc1ccc(cc1Cl)Cl)NCCSCc2ccccc2
- Standard InChI
- InChI=1S/C18H17Cl2NOS/c19-16-8-6-15(17(20)12-16)7-9-18(22)21-10-11-23-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,21,22)/b9-7+
- Stored Murcko scaffold
- S(Cc1ccccc1)CCN[CH]C=Cc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.306 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.424
- 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 · 22404515