Molecule card · MolClass #42466
852736
852736: 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
- 852736Mitochondrial Fusion · compound_name
- MolClass ID
- 42466
- InChIKey
- UYVNCSCVKMYXBR-UHFFFAOYSA-N
- Canonical SMILES
- CN1C(=O)N(C)C2(CC1(C)(C))(CC(C)(C)N(C)C(=O)N2(C))
- Standard InChI
- InChI=1S/C15H28N4O2/c1-13(2)9-15(18(7)11(20)16(13)5)10-14(3,4)17(6)12(21)19(15)8/h9-10H2,1-8H3
- Stored Murcko scaffold
- [N]1[CH][N]C2([N][CH][N]CC2)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.
No other molecules currently have this stored scaffold.
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.409 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.276
- 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 · 852736