Molecule card · MolClass #51298
17385627
17385627: 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
- 17385627Mitochondrial Fusion · compound_name
- MolClass ID
- 51298
- InChIKey
- ZTFXMCSBNIZBTN-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c4c1CCCCc1sc4(NC(=O)C(C)N2CCN(CC2)C(=O)c3ccco3)
- Standard InChI
- InChI=1S/C23H29N3O5S/c1-3-30-23(29)19-16-7-4-5-9-18(16)32-21(19)24-20(27)15(2)25-10-12-26(13-11-25)22(28)17-8-6-14-31-17/h6,8,14-15H,3-5,7,9-13H2,1-2H3,(H,24,27)
- Stored Murcko scaffold
- o1cccc1[CH]N2CCN(C[CH]Nc3sc4c(c3)CCCC4)CC2
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.
- 14721494#51913
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 120.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 459.56 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.916
- 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 · 17385627