Molecule card · MolClass #37627
22401878
22401878: 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
- 22401878Mitochondrial Fusion · compound_name
- MolClass ID
- 37627
- InChIKey
- QUXVSCXJWBFGNN-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)N5N=C2C1CCN(CC1)C2C5(c4cccc3ccccc34)
- Standard InChI
- InChI=1S/C20H21N3O/c1-13(24)23-19(17-8-4-6-14-5-2-3-7-16(14)17)20-18(21-23)15-9-11-22(20)12-10-15/h2-8,15,19-20H,9-12H2,1H3
- Stored Murcko scaffold
- N=1[N]C(c2cccc3ccccc32)C4C1C5CCN4CC5
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
- 4
- 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
- 35.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.131
- 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 · 22401878