Molecule card · MolClass #44152
17415020
17415020: 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
- 17415020Mitochondrial Fusion · compound_name
- MolClass ID
- 44152
- InChIKey
- UCQFTNSJPWOZLQ-LDADJPATSA-N
- Canonical SMILES
- CCOc3cc(C=C1N=C(OC1(=O))c2ccc(cc2)C(C)(C)C)cc(c3(OS(C)(=O)=O))Cl
- Standard InChI
- InChI=1S/C23H24ClNO6S/c1-6-29-19-13-14(11-17(24)20(19)31-32(5,27)28)12-18-22(26)30-21(25-18)15-7-9-16(10-8-15)23(2,3)4/h7-13H,6H2,1-5H3/b18-12+
- Stored Murcko scaffold
- N=1C([CH]OC1c2ccccc2)=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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 477.96 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.962
- 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 · 17415020