Molecule card · MolClass #26143
24804307
24804307: 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
- 24804307Antifungal Pump Inhibitors · compound_name24804307Mitochondrial Fusion · compound_name
- MolClass ID
- 26143
- InChIKey
- TVBLXJWXSYHCKO-UHFFFAOYSA-N
- Canonical SMILES
- C[N+]1(C)(CC2=Cc3ccccc3(CC2(C1)))
- Standard InChI
- InChI=1S/C14H18N/c1-15(2)9-13-7-11-5-3-4-6-12(11)8-14(13)10-15/h3-7,14H,8-10H2,1-2H3/q+1
- Stored Murcko scaffold
- c1ccc2c(c1)C=C3C[NH2+]CC3C2
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
- 200.3 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.371
- 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 · 24804307
Mitochondrial Fusion
Dataset #19 · 24804307