Molecule card · MolClass #41180
14739997
14739997: 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
- 14739997Mitochondrial Fusion · compound_name
- MolClass ID
- 41180
- InChIKey
- WPHZWPLPYKHTTE-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CC(c2cccc1ccccc12)n3cccc3
- Standard InChI
- InChI=1S/C17H15NO2/c19-17(20)12-16(18-10-3-4-11-18)15-9-5-7-13-6-1-2-8-14(13)15/h1-11,16H,12H2,(H,19,20)
- Stored Murcko scaffold
- c1ccc2c(c1)cccc2Cn3cccc3
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.
No other molecules currently have this stored scaffold.
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
- 42.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.742
- 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 · 14739997