Molecule card · MolClass #44111
7970073
7970073: 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
- 7970073Mitochondrial Fusion · compound_name
- MolClass ID
- 44111
- InChIKey
- VUJYKYFIHXDEBH-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)N1CCC(CC1)NC(=O)C3=CN=C2N(CCS2)C3(=O)
- Standard InChI
- InChI=1S/C15H20N4O4S/c1-2-23-15(22)18-5-3-10(4-6-18)17-12(20)11-9-16-14-19(13(11)21)7-8-24-14/h9-10H,2-8H2,1H3,(H,17,20)
- Stored Murcko scaffold
- N=1C=C([CH]NC2CC[N]CC2)[CH]N3C1SCC3
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.41 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.249
- 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 · 7970073