Molecule card · MolClass #39195
24800792
24800792: 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
- 24800792Mitochondrial Fusion · compound_name
- MolClass ID
- 39195
- InChIKey
- MCCIXFFKMCOHCY-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CCn1cccn1)C(=O)CCc2nnc(o2)C3(CCC3)c4ccc(cc4)Cl
- Standard InChI
- InChI=1S/C22H26ClN5O2/c1-2-27(15-16-28-14-4-13-24-28)20(29)10-9-19-25-26-21(30-19)22(11-3-12-22)17-5-7-18(23)8-6-17/h4-8,13-14H,2-3,9-12,15-16H2,1H3
- Stored Murcko scaffold
- n1nc(oc1CC[CH][N]CCn2nccc2)C3(c4ccccc4)CCC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 427.928 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.827
- 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 · 24800792