Molecule card · MolClass #38608
7966056
7966056: 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
- 7966056Mitochondrial Fusion · compound_name
- MolClass ID
- 38608
- InChIKey
- JSFROBRDZNMQLU-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)C(=O)Cn3ncc2COc1ccccc1c23
- Standard InChI
- InChI=1S/C16H19N3O2/c1-3-18(4-2)15(20)10-19-16-12(9-17-19)11-21-14-8-6-5-7-13(14)16/h5-9H,3-4,10-11H2,1-2H3
- Stored Murcko scaffold
- n1cc2c([nH]1)-c3ccccc3OC2
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.39
- 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 · 7966056