Molecule card · MolClass #29843
24816980
24816980: 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
- 24816980Antifungal Pump Inhibitors · compound_name24816980Mitochondrial Fusion · compound_name
- MolClass ID
- 29843
- InChIKey
- HVZLFTFMCUNAQK-KPKJPENVSA-N
- Canonical SMILES
- CON=CC2C(=O)NN=C2(c1ccccc1)
- Standard InChI
- InChI=1S/C11H11N3O2/c1-16-12-7-9-10(13-14-11(9)15)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,14,15)/b12-7+
- Stored Murcko scaffold
- N=1N[CH]CC1c2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 217.224 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.33
- 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 · 24816980
Mitochondrial Fusion
Dataset #19 · 24816980