Molecule card · MolClass #28262
861923
861923: 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
- 861923Antifungal Pump Inhibitors · compound_name861923Mitochondrial Fusion · compound_name
- MolClass ID
- 28262
- InChIKey
- HDMYUEYNNGDXBK-HCFISPQYSA-N
- Canonical SMILES
- Nc2nnnn2(N=CC=Cc1ccccc1)
- Standard InChI
- InChI=1S/C10H10N6/c11-10-13-14-15-16(10)12-8-4-7-9-5-2-1-3-6-9/h1-8H,(H2,11,13,15)/b7-4+,12-8+
- Stored Murcko scaffold
- n1ncn(n1)N=CC=Cc2ccccc2
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
- 5
- 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
- 81.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 214.227 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.672
- 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 · 861923
Mitochondrial Fusion
Dataset #19 · 861923