Molecule card · MolClass #51704
14731231
14731231: 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
- 14731231Mitochondrial Fusion · compound_name
- MolClass ID
- 51704
- InChIKey
- SZZQXRJHADWPAT-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1cccc(c1)C(=O)Nc3ccc4oc(Cc2ccc(cc2)Cl)nc4(c3)
- Standard InChI
- InChI=1S/C23H19ClN2O3/c1-2-28-19-5-3-4-16(13-19)23(27)25-18-10-11-21-20(14-18)26-22(29-21)12-15-6-8-17(24)9-7-15/h3-11,13-14H,2,12H2,1H3,(H,25,27)
- Stored Murcko scaffold
- n1c2cc(ccc2oc1Cc3ccccc3)N[CH]c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 406.862 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.903
- 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 · 14731231