Molecule card · MolClass #25989
14741922
14741922: 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
- 14741922Antifungal Pump Inhibitors · compound_name14741922Mitochondrial Fusion · compound_name
- MolClass ID
- 25989
- InChIKey
- GZNCFRBAWXAROU-UHFFFAOYSA-N
- Canonical SMILES
- Oc3nnc(Cc1ccc2ccccc2(n1))c4ccccc34
- Standard InChI
- InChI=1S/C18H13N3O/c22-18-15-7-3-2-6-14(15)17(20-21-18)11-13-10-9-12-5-1-4-8-16(12)19-13/h1-10H,11H2,(H,21,22)
- Stored Murcko scaffold
- n1nc(c2ccccc2c1)Cc3nc4ccccc4cc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.316 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.564
- 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 · 14741922
Mitochondrial Fusion
Dataset #19 · 14741922