Molecule card · MolClass #49120
24823263
24823263: 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
- 24823263Mitochondrial Fusion · compound_name
- MolClass ID
- 49120
- InChIKey
- ZWISHTUGZACZGD-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(cc1)NC(=O)c3cc4c(C)nc2ccccc2c4(o3)
- Standard InChI
- InChI=1S/C21H18N2O2/c1-3-14-8-10-15(11-9-14)23-21(24)19-12-17-13(2)22-18-7-5-4-6-16(18)20(17)25-19/h4-12H,3H2,1-2H3,(H,23,24)
- Stored Murcko scaffold
- n1cc2cc(oc2c3ccccc13)[CH]Nc4ccccc4
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.
- 24813045#49280
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.381 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.368
- 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 · 24823263