Molecule card · MolClass #45975
22414140
22414140: 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
- 22414140Mitochondrial Fusion · compound_name
- MolClass ID
- 45975
- InChIKey
- CSGORFBHMXOMDK-UHFFFAOYSA-N
- Canonical SMILES
- NCCOC=1C=NN(C(=O)C=1Cl)c2ccccc2Cl
- Standard InChI
- InChI=1S/C12H11Cl2N3O2/c13-8-3-1-2-4-9(8)17-12(18)11(14)10(7-16-17)19-6-5-15/h1-4,7H,5-6,15H2
- Stored Murcko scaffold
- N1=CC=C[CH]N1c2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 67.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.141 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.427
- 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 · 22414140