Molecule card · MolClass #37936
846584
846584: 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
- 846584Mitochondrial Fusion · compound_name
- MolClass ID
- 37936
- InChIKey
- DSENEJPDFNKQJA-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cn1nc(nc1Cl)Cl)Nc2ccccc2
- Standard InChI
- InChI=1S/C10H8Cl2N4O/c11-9-14-10(12)16(15-9)6-8(17)13-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,17)
- Stored Murcko scaffold
- n1cnn(c1)C[CH]Nc2ccccc2
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.
- 1786202#16019
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.103 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.056
- 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 · 846584