Molecule card · MolClass #45110
7967375
7967375: 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
- 7967375Mitochondrial Fusion · compound_name
- MolClass ID
- 45110
- InChIKey
- DFPBKRZNFLBSDU-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)N1CCN(CC1)C(=O)Cn4ncc3COc2ccccc2c34
- Standard InChI
- InChI=1S/C19H22N4O4/c1-2-26-19(25)22-9-7-21(8-10-22)17(24)12-23-18-14(11-20-23)13-27-16-6-4-3-5-15(16)18/h3-6,11H,2,7-10,12-13H2,1H3
- Stored Murcko scaffold
- n1cc2c(-c3ccccc3OC2)n1C[CH]N4CC[N]CC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.403 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.57
- 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 · 7967375