Molecule card · MolClass #36848
14728604
14728604: 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
- 14728604Mitochondrial Fusion · compound_name
- MolClass ID
- 36848
- InChIKey
- OLHAANQFBWJFET-HOZYVRTFSA-N
- Canonical SMILES
- C=CCC2C=CC(ON=CC(NS(=O)(=O)c1ccc(C)cc1)C(C)C=CCC(=O)OC)C(CO)O2
- Standard InChI
- InChI=1S/C25H34N2O7S/c1-5-7-20-12-15-23(24(17-28)33-20)34-26-16-22(19(3)8-6-9-25(29)32-4)27-35(30,31)21-13-10-18(2)11-14-21/h5-6,8,10-16,19-20,22-24,27-28H,1,7,9,17H2,2-4H3/b8-6+,26-16+/t19-,20-,22-,23+,24-/m1/s1
- Stored Murcko scaffold
- N(OC1C=CCOC1)=CCNSc2ccccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 14
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 131.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 506.614 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.664
- 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 · 14728604