Molecule card · MolClass #42192
24819295
24819295: 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
- 24819295Mitochondrial Fusion · compound_name
- MolClass ID
- 42192
- InChIKey
- RGTMBPMKMXREPX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(nn1c2cc(ccc2Cl)Cl)C(=O)O
- Standard InChI
- InChI=1S/C10H7Cl2N3O2/c1-5-13-9(10(16)17)14-15(5)8-4-6(11)2-3-7(8)12/h2-4H,1H3,(H,16,17)
- Stored Murcko scaffold
- n1cnn(c1)-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
- 68.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 272.088 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.725
- 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 · 24819295