Molecule card · MolClass #33359
24820247
24820247: 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
- 24820247Antifungal Pump Inhibitors · compound_name24820247Mitochondrial Fusion · compound_name
- MolClass ID
- 33359
- InChIKey
- STOJIHWWUFJNFQ-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCCCCc1c(O)nc(nc1(O))n2nc(C)c(CCO)c2(O)
- Standard InChI
- InChI=1S/C18H28N4O4/c1-3-4-5-6-7-8-9-14-15(24)19-18(20-16(14)25)22-17(26)13(10-11-23)12(2)21-22/h23,26H,3-11H2,1-2H3,(H2,19,20,24,25)
- Stored Murcko scaffold
- n1cccnc1-n2nccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 124.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.44 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.915
- 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 · 24820247
Mitochondrial Fusion
Dataset #19 · 24820247