Molecule card · MolClass #39621
7965633
7965633: 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
- 7965633Mitochondrial Fusion · compound_name
- MolClass ID
- 39621
- InChIKey
- MBJXBYVPWYHBLY-UHFFFAOYSA-N
- Canonical SMILES
- CN1C(=O)C=C(NC1(=O))N(C)c2ccccc2
- Standard InChI
- InChI=1S/C12H13N3O2/c1-14(9-6-4-3-5-7-9)10-8-11(16)15(2)12(17)13-10/h3-8H,1-2H3,(H,13,17)
- Stored Murcko scaffold
- [N]1[CH]C=C(N[CH]1)Nc2ccccc2
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
- 5
- 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
- 52.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 231.251 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.534
- 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 · 7965633