Molecule card · MolClass #44663
7969262
7969262: 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
- 7969262Mitochondrial Fusion · compound_name
- MolClass ID
- 44663
- InChIKey
- IDUQIEWJCACMAI-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c1cccc(c1)NC(=O)Cn2cc3CCCCc3(n2)
- Standard InChI
- InChI=1S/C17H19N3O2/c1-12(21)13-6-4-7-15(9-13)18-17(22)11-20-10-14-5-2-3-8-16(14)19-20/h4,6-7,9-10H,2-3,5,8,11H2,1H3,(H,18,22)
- Stored Murcko scaffold
- n1c2c(cn1C[CH]Nc3ccccc3)CCCC2
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.
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.147
- 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 · 7969262