Molecule card · MolClass #49411
24805764
24805764: 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
- 24805764Mitochondrial Fusion · compound_name
- MolClass ID
- 49411
- InChIKey
- CWCJGBUCLVXTOD-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CN1N=C(C=CC1(=O))c2ccccc2Cl)Nc4ccccc4(c3ccccc3)
- Standard InChI
- InChI=1S/C24H18ClN3O2/c25-20-12-6-4-11-19(20)22-14-15-24(30)28(27-22)16-23(29)26-21-13-7-5-10-18(21)17-8-2-1-3-9-17/h1-15H,16H2,(H,26,29)
- Stored Murcko scaffold
- N1=C(C=C[CH]N1C[CH]Nc2ccccc2-c3ccccc3)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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 415.872 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.356
- 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 · 24805764