Molecule card · MolClass #40604
24796221
24796221: 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
- 24796221Mitochondrial Fusion · compound_name
- MolClass ID
- 40604
- InChIKey
- IJJXSBGFULLGFW-UHFFFAOYSA-N
- Canonical SMILES
- Nc1nncn1C(=O)c2ccc(cc2Cl)Cl
- Standard InChI
- InChI=1S/C9H6Cl2N4O/c10-5-1-2-6(7(11)3-5)8(16)15-4-13-14-9(15)12/h1-4H,(H2,12,14)
- Stored Murcko scaffold
- n1ncn(c1)[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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 257.076 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.485
- 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 · 24796221