Molecule card · MolClass #46084
24819278
24819278: 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
- 24819278Mitochondrial Fusion · compound_name
- MolClass ID
- 46084
- InChIKey
- UBYNSHVHPRVNCP-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NNc1ncccc1Cl)c2c(cccc2Cl)Cl
- Standard InChI
- InChI=1S/C12H8Cl3N3O/c13-7-3-1-4-8(14)10(7)12(19)18-17-11-9(15)5-2-6-16-11/h1-6H,(H,16,17)(H,18,19)
- Stored Murcko scaffold
- n1ccccc1NN[CH]c2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 54.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.571 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.711
- 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 · 24819278