Molecule card · MolClass #51760
14730179
14730179: 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
- 14730179Mitochondrial Fusion · compound_name
- MolClass ID
- 51760
- InChIKey
- DXJCNEPTBOKQSE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CN3C=CC(=O)C(OCc2c(cccc2Cl)Cl)=C3(C)
- Standard InChI
- InChI=1S/C21H19Cl2NO2/c1-14-6-8-16(9-7-14)12-24-11-10-20(25)21(15(24)2)26-13-17-18(22)4-3-5-19(17)23/h3-11H,12-13H2,1-2H3
- Stored Murcko scaffold
- O(C=1[CH]C=CN(C1)Cc2ccccc2)Cc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 388.288 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.314
- 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 · 14730179