Molecule card · MolClass #43366
3714749
3714749: 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
- 3714749Mitochondrial Fusion · compound_name
- MolClass ID
- 43366
- InChIKey
- CSMKFXRAGONZOF-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(Nc1ccccc1)n(CCOC(=O)COc2ccccc2)n3
- Standard InChI
- InChI=1S/C20H21N3O3/c1-16-14-19(21-17-8-4-2-5-9-17)23(22-16)12-13-25-20(24)15-26-18-10-6-3-7-11-18/h2-11,14,21H,12-13,15H2,1H3
- Stored Murcko scaffold
- n1ccc(Nc2ccccc2)n1CCO[CH]COc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.4 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.912
- 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 · 3714749