Molecule card · MolClass #48897
24840282
24840282: 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
- 24840282Mitochondrial Fusion · compound_name
- MolClass ID
- 48897
- InChIKey
- RQBNHIDKKLLRPT-UHFFFAOYSA-N
- Canonical SMILES
- O=C1CCCC(=C1)NC(=O)Nc2ccc(c(c2)Cl)Cl
- Standard InChI
- InChI=1S/C13H12Cl2N2O2/c14-11-5-4-9(7-12(11)15)17-13(19)16-8-2-1-3-10(18)6-8/h4-7H,1-3H2,(H2,16,17,19)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]NC2=C[CH]CCC2
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
- 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
- 58.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.153 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.291
- 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 · 24840282