Molecule card · MolClass #51795
14728058
14728058: 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
- 14728058Mitochondrial Fusion · compound_name
- MolClass ID
- 51795
- InChIKey
- HSQAXTWKKNFOHA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(cc(c1)C(C)C)OC=2C=NN(C(=O)C=2Cl)C(C)(C)C
- Standard InChI
- InChI=1S/C18H23ClN2O2/c1-11(2)13-7-12(3)8-14(9-13)23-15-10-20-21(18(4,5)6)17(22)16(15)19/h7-11H,1-6H3
- Stored Murcko scaffold
- n1ncc(Oc2ccccc2)cc1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.841 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.723
- 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 · 14728058