Molecule card · MolClass #38295
14735332
14735332: 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
- 14735332Mitochondrial Fusion · compound_name
- MolClass ID
- 38295
- InChIKey
- CTMUJXYNODRRNK-QBFSEMIESA-N
- Canonical SMILES
- O=C2OC(=NC2(=CN1CCCCC1))c3ccccc3
- Standard InChI
- InChI=1S/C15H16N2O2/c18-15-13(11-17-9-5-2-6-10-17)16-14(19-15)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2/b13-11-
- Stored Murcko scaffold
- N=1C([CH]OC1c2ccccc2)=CN3CCCCC3
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.
- 4243132#39064
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 256.3 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.343
- 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 · 14735332