Molecule card · MolClass #48283
22412702
22412702: 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
- 22412702Mitochondrial Fusion · compound_name
- MolClass ID
- 48283
- InChIKey
- CEBPUXJJFPTEII-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NNc1cccc(n1)Cl)c2cccnc2Cl
- Standard InChI
- InChI=1S/C11H8Cl2N4O/c12-8-4-1-5-9(15-8)16-17-11(18)7-3-2-6-14-10(7)13/h1-6H,(H,15,16)(H,17,18)
- Stored Murcko scaffold
- n1cccc(c1)[CH]NNc2ncccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.114 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.015
- 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 · 22412702