Molecule card · MolClass #25516
14734655
14734655: 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
- 14734655Antifungal Pump Inhibitors · compound_name14734655Mitochondrial Fusion · compound_name
- MolClass ID
- 25516
- InChIKey
- IAJGXTBRJDRNCF-UHFFFAOYSA-O
- Canonical SMILES
- Cc1ccc2NC(C)=CC(C)=[N+]c2(c1)
- Standard InChI
- InChI=1S/C12H14N2/c1-8-4-5-11-12(6-8)14-10(3)7-9(2)13-11/h4-7,13H,1-3H3/p+1
- Stored Murcko scaffold
- c1ccc2[NH+]=CC=CNc2c1
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 187.261 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.884
- 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 · 14734655
Mitochondrial Fusion
Dataset #19 · 14734655