Molecule card · MolClass #51952
7975172
7975172: 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
- 7975172Mitochondrial Fusion · compound_name
- MolClass ID
- 51952
- InChIKey
- RGJPIOZAENUBCK-UHFFFAOYSA-N
- Canonical SMILES
- CC1CN(CCN1C(=O)N(C)C)C(=O)N(C)C
- Standard InChI
- InChI=1S/C11H22N4O2/c1-9-8-14(10(16)12(2)3)6-7-15(9)11(17)13(4)5/h9H,6-8H2,1-5H3
- Stored Murcko scaffold
- [N]1CC[N]CC1
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.
- 54-91-1#5471
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.318 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.692
- 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 · 7975172