Molecule card · MolClass #25559
856319
856319: 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
- 856319Antifungal Pump Inhibitors · compound_name856319Mitochondrial Fusion · compound_name
- MolClass ID
- 25559
- InChIKey
- ZDTAQAWWCUKGJD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c2cccn2(cc[n+]1(C))
- Standard InChI
- InChI=1S/C9H11N2/c1-8-9-4-3-5-11(9)7-6-10(8)2/h3-7H,1-2H3/q+1
- Stored Murcko scaffold
- c1cc2c[nH+]ccn2c1
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
- 0
- 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
- 8.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 147.197 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.634
- 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 · 856319
Mitochondrial Fusion
Dataset #19 · 856319