Molecule card · MolClass #9719
3433
3433: 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
- 3433P.falciparum Sensitivity · compound_name
- MolClass ID
- 9719
- InChIKey
- Not recorded
- Canonical SMILES
- Cc2[nH]c3C(=O)N(C)C(=O)N(Cc1ccco1)c3(n2)
- Standard InChI
- null
- Stored Murcko scaffold
- [N]1[CH]c2[nH]cnc2N([CH]1)Cc3occc3
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.
- LOPAC 01334#484
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 82.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.249 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.615
- 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.
P.falciparum Sensitivity
Dataset #8 · 3433