Molecule card · MolClass #51502
14739836
14739836: 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
- 14739836Mitochondrial Fusion · compound_name
- MolClass ID
- 51502
- InChIKey
- COGWQKWMKKWWTG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)COn3c4cccnc4(nc3(c2ccc(cc2Cl)Cl))
- Standard InChI
- InChI=1S/C20H15Cl2N3O/c1-13-4-6-14(7-5-13)12-26-25-18-3-2-10-23-19(18)24-20(25)16-9-8-15(21)11-17(16)22/h2-11H,12H2,1H3
- Stored Murcko scaffold
- n1cccc2c1nc(-c3ccccc3)n2OCc4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 384.259 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.655
- 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 · 14739836