Molecule card · MolClass #42119
22412251
22412251: 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
- 22412251Mitochondrial Fusion · compound_name
- MolClass ID
- 42119
- InChIKey
- NAMXXOKTWWRCJB-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nn(C)cc2(CNC(=O)C1(C)(CC1(Cl)Cl))
- Standard InChI
- InChI=1S/C11H15Cl2N3O/c1-7-8(5-16(3)15-7)4-14-9(17)10(2)6-11(10,12)13/h5H,4,6H2,1-3H3,(H,14,17)
- Stored Murcko scaffold
- n1cc(c[nH]1)CN[CH]C2CC2
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.
- 22402563#44551
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.163 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.335
- 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 · 22412251