Molecule card · MolClass #43733
14745708
14745708: 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
- 14745708Mitochondrial Fusion · compound_name
- MolClass ID
- 43733
- InChIKey
- DOQZJXDPOAYAPN-UHFFFAOYSA-N
- Canonical SMILES
- O=C3CC(Nc1ccccc1)C(=O)N3(CCc2ccccc2)
- Standard InChI
- InChI=1S/C18H18N2O2/c21-17-13-16(19-15-9-5-2-6-10-15)18(22)20(17)12-11-14-7-3-1-4-8-14/h1-10,16,19H,11-13H2
- Stored Murcko scaffold
- c1ccc(cc1)NC2[CH]N([CH]C2)CCc3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.348 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.872
- 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 · 14745708