Molecule card · MolClass #25502
17408627
17408627: 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
- 17408627Antifungal Pump Inhibitors · compound_name17408627Mitochondrial Fusion · compound_name
- MolClass ID
- 25502
- InChIKey
- MYPNHOGWHLJRIM-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCC2(C)(C=3CCCC=3(CC[N+]2(C)(C1)))
- Standard InChI
- InChI=1S/C15H26N/c1-12-7-9-15(2)14-6-4-5-13(14)8-10-16(15,3)11-12/h12H,4-11H2,1-3H3/q+1
- Stored Murcko scaffold
- C12=C(CCC1)C3CCCC[NH+]3CC2
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 0 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.726
- 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 · 17408627
Mitochondrial Fusion
Dataset #19 · 17408627