Molecule card · MolClass #43310
14727706
14727706: 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
- 14727706Mitochondrial Fusion · compound_name
- MolClass ID
- 43310
- InChIKey
- ONZWWJLZGOFYGY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(=O)Cc2noc3ccccc23
- Standard InChI
- InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)17-16(19)10-14-13-4-2-3-5-15(13)20-18-14/h2-9H,10H2,1H3,(H,17,19)
- Stored Murcko scaffold
- n1oc2ccccc2c1C[CH]Nc3ccccc3
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
- 2
- 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
- 55.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.275
- 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 · 14727706