Molecule card · MolClass #42100
24823533
24823533: 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
- 24823533Mitochondrial Fusion · compound_name
- MolClass ID
- 42100
- InChIKey
- JUXNYQBOUPTYRJ-ACAGNQJTSA-N
- Canonical SMILES
- Oc2nncc(NN=Cc1ccncc1)c2Cl
- Standard InChI
- InChI=1S/C10H8ClN5O/c11-9-8(6-14-16-10(9)17)15-13-5-7-1-3-12-4-2-7/h1-6H,(H2,15,16,17)/b13-5-
- Stored Murcko scaffold
- n1ncc(cc1)NN=Cc2ccncc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.657 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.951
- 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 · 24823533