Molecule card · MolClass #46850
7968442
7968442: 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
- 7968442Mitochondrial Fusion · compound_name
- MolClass ID
- 46850
- InChIKey
- VYUGCEYBPVZSIZ-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)N1CCN(CC1)C=2C(=O)C(=O)C=2N4CCc3ccccc34
- Standard InChI
- InChI=1S/C19H21N3O4/c1-2-26-19(25)21-11-9-20(10-12-21)15-16(18(24)17(15)23)22-8-7-13-5-3-4-6-14(13)22/h3-6H,2,7-12H2,1H3
- Stored Murcko scaffold
- [N]1CCN(C=2[CH][CH]C2N3c4ccccc4CC3)CC1
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.388 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.246
- 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 · 7968442