Molecule card · MolClass #38885
17506124
17506124: 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
- 17506124Mitochondrial Fusion · compound_name
- MolClass ID
- 38885
- InChIKey
- XKKRTYIGBFFQMJ-FPLPWBNLSA-N
- Canonical SMILES
- CN2C(=O)NC(=O)C(=CNN1CCCCC1)C2(=O)
- Standard InChI
- InChI=1S/C11H16N4O3/c1-14-10(17)8(9(16)13-11(14)18)7-12-15-5-3-2-4-6-15/h7,12H,2-6H2,1H3,(H,13,16,18)/b8-7-
- Stored Murcko scaffold
- [N]1[CH]N[CH]C([CH]1)=CNN2CCCCC2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 252.27 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.397
- 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 · 17506124