Molecule card · MolClass #38607
14737190
14737190: 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
- 14737190Mitochondrial Fusion · compound_name
- MolClass ID
- 38607
- InChIKey
- CDJFNGFYMWYIPZ-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c1ccc(cc1)NC(=O)c2cnn3ccccc23
- Standard InChI
- InChI=1S/C16H13N3O2/c1-11(20)12-5-7-13(8-6-12)18-16(21)14-10-17-19-9-3-2-4-15(14)19/h2-10H,1H3,(H,18,21)
- Stored Murcko scaffold
- n1cc([CH]Nc2ccccc2)c3ccccn13
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 279.294 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.346
- 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 · 14737190