Molecule card · MolClass #36736
14718867
14718867: 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
- 14718867Mitochondrial Fusion · compound_name
- MolClass ID
- 36736
- InChIKey
- CGZXQIFYJMIPIY-UHFFFAOYSA-N
- Canonical SMILES
- c2cc1cccc4c1c(c2)C5OCN(c3ccc(cc3)Cl)C45
- Standard InChI
- InChI=1S/C19H14ClNO/c20-13-7-9-14(10-8-13)21-11-22-19-16-6-2-4-12-3-1-5-15(17(12)16)18(19)21/h1-10,18-19H,11H2
- Stored Murcko scaffold
- O1CN(c2ccccc2)C3c4cccc5cccc(c54)C13
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.
- 14728344#28280
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 12.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.774 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.58
- 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 · 14718867