Molecule card · MolClass #26150
14723655
14723655: 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
- 14723655Antifungal Pump Inhibitors · compound_name14723655Mitochondrial Fusion · compound_name
- MolClass ID
- 26150
- InChIKey
- VHEAMOSNUXAWFI-UHFFFAOYSA-N
- Canonical SMILES
- CCCc1c(C)c2c(C)nnc2(oc1(O))
- Standard InChI
- InChI=1S/C11H14N2O2/c1-4-5-8-6(2)9-7(3)12-13-10(9)15-11(8)14/h14H,4-5H2,1-3H3
- Stored Murcko scaffold
- n1nc-2occcc2c1
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 59.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 206.241 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.002
- 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 · 14723655
Mitochondrial Fusion
Dataset #19 · 14723655