Molecule card · MolClass #36515
7974858
7974858: 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
- 7974858Mitochondrial Fusion · compound_name
- MolClass ID
- 36515
- InChIKey
- HDUOQUWAAUWSSY-UHFFFAOYSA-N
- Canonical SMILES
- CCc1nc(N)nc2CC(C)(C)CC(=O)c12
- Standard InChI
- InChI=1S/C12H17N3O/c1-4-7-10-8(15-11(13)14-7)5-12(2,3)6-9(10)16/h4-6H2,1-3H3,(H2,13,14,15)
- Stored Murcko scaffold
- n1cnc2c(c1)[CH]CCC2
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.
- 1439388#15161
- 7972149#31485
- 14723934#38038
- CCCCC(=O)Nc1ncc2C(=O)CC(C)(C)Cc2n1#151101
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 219.283 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.322
- 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 · 7974858