Molecule card · MolClass #33024
17511790
17511790: 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
- 17511790Antifungal Pump Inhibitors · compound_name17511790Mitochondrial Fusion · compound_name
- MolClass ID
- 33024
- InChIKey
- FSZCGHRDZGICOK-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)c2cnc3nc(cn3(n2))c4ccccc4
- Standard InChI
- InChI=1S/C17H12N4/c1-3-7-13(8-4-1)15-11-18-17-19-16(12-21(17)20-15)14-9-5-2-6-10-14/h1-12H
- Stored Murcko scaffold
- n1cc(nn2cc(nc12)-c3ccccc3)-c4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 272.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.495
- 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 · 17511790
Mitochondrial Fusion
Dataset #19 · 17511790