Molecule card · MolClass #26879
14734598
14734598: 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
- 14734598Antifungal Pump Inhibitors · compound_name14734598Mitochondrial Fusion · compound_name
- MolClass ID
- 26879
- InChIKey
- VYBAQWFPCSVPEZ-UHFFFAOYSA-N
- Canonical SMILES
- CCCC1=NCCn2cccc12
- Standard InChI
- InChI=1S/C10H14N2/c1-2-4-9-10-5-3-7-12(10)8-6-11-9/h3,5,7H,2,4,6,8H2,1H3
- Stored Murcko scaffold
- N1=Cc2cccn2CC1
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
- 1
- 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
- 17.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 162.232 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.994
- 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 · 14734598
Mitochondrial Fusion
Dataset #19 · 14734598