Molecule card · MolClass #43978
865894
865894: 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
- 865894Mitochondrial Fusion · compound_name
- MolClass ID
- 43978
- InChIKey
- ORZVRBRTVVLUQB-UHFFFAOYSA-N
- Canonical SMILES
- CCN3c4ccccc4(C(=O)C(c1ccccc1Cl)=C3(NC(=O)c2ccco2))
- Standard InChI
- InChI=1S/C22H17ClN2O3/c1-2-25-17-11-6-4-9-15(17)20(26)19(14-8-3-5-10-16(14)23)21(25)24-22(27)18-12-7-13-28-18/h3-13H,2H2,1H3,(H,24,27)
- Stored Murcko scaffold
- o1cccc1[CH]NC=2Nc3ccccc3[CH]C2c4ccccc4
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.
- 14741516#48223
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 392.836 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.159
- 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 · 865894