Molecule card · MolClass #46546
24804146
24804146: 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
- 24804146Mitochondrial Fusion · compound_name
- MolClass ID
- 46546
- InChIKey
- OIFYEFTYZRZGGE-UHFFFAOYSA-N
- Canonical SMILES
- CCN2C(=O)N(CC)c1cc(N)ccc12
- Standard InChI
- InChI=1S/C11H15N3O/c1-3-13-9-6-5-8(12)7-10(9)14(4-2)11(13)15/h5-7H,3-4,12H2,1-2H3
- Stored Murcko scaffold
- [N]1[CH][N]c2ccccc12
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 205.257 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.773
- 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 · 24804146