Molecule card · MolClass #36895
4246393
4246393: 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
- 4246393Mitochondrial Fusion · compound_name
- MolClass ID
- 36895
- InChIKey
- JZCACWOHRODOGV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(no1)N4C(=O)C2CCCN2C4(c3ccccc3)
- Standard InChI
- InChI=1S/C16H17N3O2/c1-11-10-14(17-21-11)19-15(12-6-3-2-4-7-12)18-9-5-8-13(18)16(19)20/h2-4,6-7,10,13,15H,5,8-9H2,1H3
- Stored Murcko scaffold
- n1occc1N2[CH]C3N(CCC3)C2c4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.326 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.575
- 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 · 4246393