Molecule card · MolClass #50249
22401283
22401283: 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
- 22401283Mitochondrial Fusion · compound_name
- MolClass ID
- 50249
- InChIKey
- UEPOZDIDRCLCQP-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCCc1cc2C=C(C(=O)Oc2(cc1(O)))S(=O)(=O)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C21H21ClO5S/c1-2-3-4-5-6-14-11-15-12-20(21(24)27-19(15)13-18(14)23)28(25,26)17-9-7-16(22)8-10-17/h7-13,23H,2-6H2,1H3
- Stored Murcko scaffold
- O1[CH]C(Sc2ccccc2)=Cc3ccccc13
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 420.908 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.885
- 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 · 22401283