Molecule card · MolClass #38610
24806999
24806999: 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
- 24806999Mitochondrial Fusion · compound_name
- MolClass ID
- 38610
- InChIKey
- MSZFJVDESGWALH-UHFFFAOYSA-O
- Canonical SMILES
- C[n+]1ccc(cc1)C=NNc2nc(c(C#N)c(c2Cl)Cl)Cl
- Standard InChI
- InChI=1S/C13H8Cl3N5/c1-21-4-2-8(3-5-21)7-18-20-13-11(15)10(14)9(6-17)12(16)19-13/h2-5,7H,1H3/p+1
- Stored Murcko scaffold
- N(=Cc1cc[nH+]cc1)Nc2ncccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.603 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.884
- 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 · 24806999