Molecule card · MolClass #26764
24837635
24837635: 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
- 24837635Antifungal Pump Inhibitors · compound_name24837635Mitochondrial Fusion · compound_name
- MolClass ID
- 26764
- InChIKey
- PCTKKEHLPGWZBL-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)C1CCc3c(C1)cc(c2nnc(CCl)o2)s3
- Standard InChI
- InChI=1S/C15H19ClN2OS/c1-15(2,3)10-4-5-11-9(6-10)7-12(20-11)14-18-17-13(8-16)19-14/h7,10H,4-6,8H2,1-3H3
- Stored Murcko scaffold
- n1nc(oc1)-c2sc3c(c2)CCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.844 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.223
- 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 · 24837635
Mitochondrial Fusion
Dataset #19 · 24837635