Molecule card · MolClass #44489
7968309
7968309: 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
- 7968309Mitochondrial Fusion · compound_name
- MolClass ID
- 44489
- InChIKey
- BFKLIJVOUGLFHG-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)Nc1ccc2N=CN(C)C(=O)c2(c1)
- Standard InChI
- InChI=1S/C12H13N3O3/c1-3-18-12(17)14-8-4-5-10-9(6-8)11(16)15(2)7-13-10/h4-7H,3H2,1-2H3,(H,14,17)
- Stored Murcko scaffold
- n1cnc2ccccc2c1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.25 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.687
- 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 · 7968309