Molecule card · MolClass #46922
7968496
7968496: 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
- 7968496Mitochondrial Fusion · compound_name
- MolClass ID
- 46922
- InChIKey
- FXVMLSIPJAWNKQ-UHFFFAOYSA-N
- Canonical SMILES
- CN3C(=O)c4cc(C(=O)NCc1ccccn1)n(C)c4(c2ccccc23)
- Standard InChI
- InChI=1S/C20H18N4O2/c1-23-17(19(25)22-12-13-7-5-6-10-21-13)11-15-18(23)14-8-3-4-9-16(14)24(2)20(15)26/h3-11H,12H2,1-2H3,(H,22,25)
- Stored Murcko scaffold
- n1ccccc1CN[CH]c2cc3cnc4ccccc4c3[nH]2
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.
No other molecules currently have this stored scaffold.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.383 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.209
- 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 · 7968496