Molecule card · MolClass #31746
24822048
24822048: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24822048Antifungal Pump Inhibitors · compound_name24822048Mitochondrial Fusion · compound_name
- MolClass ID
- 31746
- InChIKey
- KFPXZZNCTKCXSW-UHFFFAOYSA-N
- Canonical SMILES
- CC1=C(C(=O)N2C(=O)C(=C(C)N12)Cl)Cl
- Standard InChI
- InChI=1S/C8H6Cl2N2O2/c1-3-5(9)7(13)12-8(14)6(10)4(2)11(3)12/h1-2H3
- Stored Murcko scaffold
- c1cn-2cccn2c1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 233.052 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.92
- 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.
Antifungal Pump Inhibitors
Dataset #18 · 24822048
Mitochondrial Fusion
Dataset #19 · 24822048