Molecule card · MolClass #52422
857192
857192: 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
- 857192Mitochondrial Fusion · compound_name
- MolClass ID
- 52422
- InChIKey
- JSSLUGUQTICIAX-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1cc(ccc1(O))C4Nc2ccccc2C(=O)N4(c3ccccc3(OC))
- Standard InChI
- InChI=1S/C23H22N2O4/c1-3-29-21-14-15(12-13-19(21)26)22-24-17-9-5-4-8-16(17)23(27)25(22)18-10-6-7-11-20(18)28-2/h4-14,22,24,26H,3H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]c3ccccc3NC2c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 390.433 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.1
- 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 · 857192