Molecule card · MolClass #43014
22406768
22406768: 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
- 22406768Mitochondrial Fusion · compound_name
- MolClass ID
- 43014
- InChIKey
- NYWCFYLFQVBDGF-WOJGMQOQSA-N
- Canonical SMILES
- CCOC(=O)C(=NNc1c(c(C)c(C(=O)OC)s1)C(=O)OCC)C(=O)CCl
- Standard InChI
- InChI=1S/C16H19ClN2O7S/c1-5-25-14(21)10-8(3)12(16(23)24-4)27-13(10)19-18-11(9(20)7-17)15(22)26-6-2/h19H,5-7H2,1-4H3/b18-11+
- Stored Murcko scaffold
- s1cccc1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 12
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 148.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 418.851 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.107
- 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 · 22406768