Molecule card · MolClass #25623
7977540
7977540: 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
- 7977540Antifungal Pump Inhibitors · compound_name7977540Mitochondrial Fusion · compound_name
- MolClass ID
- 25623
- InChIKey
- QLIHBRGJBGRMPH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc2c3ccc(C)n3(CCn2(c1))
- Standard InChI
- InChI=1S/C12H14N2/c1-9-7-12-11-4-3-10(2)14(11)6-5-13(12)8-9/h3-4,7-8H,5-6H2,1-2H3
- Stored Murcko scaffold
- c1cc2-c3cccn3CCn2c1
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
- 9.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 186.253 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.334
- 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 · 7977540
Mitochondrial Fusion
Dataset #19 · 7977540