Molecule card · MolClass #44465
24804326
24804326: 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
- 24804326Mitochondrial Fusion · compound_name
- MolClass ID
- 44465
- InChIKey
- TZDQYMKTCZPXLX-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc4c(c1)nc(C2CC2)n4(CC3CC3(Cl)Cl)
- Standard InChI
- InChI=1S/C14H14Cl2N2/c15-14(16)7-10(14)8-18-12-4-2-1-3-11(12)17-13(18)9-5-6-9/h1-4,9-10H,5-8H2
- Stored Murcko scaffold
- n1c2ccccc2n(c1C3CC3)CC4CC4
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 17.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.181 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.598
- 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 · 24804326